Detailed information for compound 266461

Basic information

Technical information
  • TDR Targets ID: 266461
  • Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5- yl)propyl-diethyl-methylazanium diiodide
  • MW: 668.395 | Formula: C27H34I2N4
  • H donors: 2 H acceptors: 0 LogP: 6.67 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[N+](CCC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2)(CC)C.[I-].[I-]
  • InChi: 1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1
  • InChiKey: XJMOSONTPMZWPB-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium diiodide
  • 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium diiodide
  • 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium diiodide
  • Propidium
  • 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium diiodide
  • 25535-16-4
  • Propidium diiodide
  • 3,8-Diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridinium diiodide
  • 3,8-Diamino-5-[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium diiodide
  • P4170_SIAL
  • 3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide
  • P4864_SIAL
  • Phenanthridinium, 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenyl- , diiodide
  • Propidium iodide solution
  • EINECS 247-081-0
  • NSC 169541
  • Phenanthridinium, 3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenyl-, diiodide
  • 3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide (6CI)
  • Propidium iodide
  • Prestwick_1017

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL No references
Human immunodeficiency virus 1 Reverse transcriptase Starlite/ChEMBL References
Mus musculus acetylcholinesterase Starlite/ChEMBL References
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens butyrylcholinesterase Starlite/ChEMBL References
Equus caballus Butyrylcholinesterase Starlite/ChEMBL References
Electrophorus electricus Acetylcholinesterase Starlite/ChEMBL References
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References
Bos taurus Acetylcholinesterase Starlite/ChEMBL References
Torpedo californica Acetylcholinesterase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii integrase-related Get druggable targets OG5_139608 All targets in OG5_139608
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Trypanosoma brucei RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense RNA helicase, putative Get druggable targets OG5_139608 All targets in OG5_139608
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_139608 All targets in OG5_139608
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni gliotactin Acetylcholinesterase   586 aa 474 aa 31.6 %
Onchocerca volvulus Acetylcholinesterase   586 aa 564 aa 29.4 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Acetylcholinesterase   586 aa 577 aa 33.6 %
Trypanosoma congolense Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative Reverse transcriptase   259 aa 237 aa 29.1 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 208 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 226 aa 24.3 %
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   586 aa 648 aa 32.6 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   586 aa 551 aa 40.7 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   586 aa 535 aa 31.4 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   586 aa 509 aa 24.8 %
Brugia malayi Carboxylesterase family protein butyrylcholinesterase 602 aa 546 aa 30.2 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   586 aa 643 aa 32.2 %
Echinococcus granulosus neuroligin Acetylcholinesterase   586 aa 493 aa 21.5 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   586 aa 552 aa 37.7 %
Onchocerca volvulus Acetylcholinesterase   586 aa 562 aa 25.1 %
Candida albicans ReverseTranscriptase similar to fruit fly Tom element Reverse transcriptase   259 aa 244 aa 27.9 %
Candida albicans polyprotein of retrotransposon Tca8 Reverse transcriptase   259 aa 238 aa 26.5 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 592 aa 28.0 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   586 aa 588 aa 28.1 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   586 aa 602 aa 24.4 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase 614 aa 507 aa 26.0 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   586 aa 487 aa 23.0 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 546 aa 29.3 %
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) Reverse transcriptase   259 aa 227 aa 26.4 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 222 aa 22.5 %
Dictyostelium discoideum hypothetical protein Reverse transcriptase   259 aa 245 aa 25.7 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   586 aa 480 aa 24.6 %
Onchocerca volvulus Acetylcholinesterase   586 aa 612 aa 25.5 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   586 aa 571 aa 25.0 %
Candida albicans hypothetical protein Reverse transcriptase   259 aa 223 aa 29.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni gliotactin 0.0104 0.1502 0.1502
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0631 0.1092
Loa Loa (eye worm) hypothetical protein 0.0036 0.0374 0.0226
Treponema pallidum lysophosphatidic acid acyltransferase 0.0234 0.3678 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0234 0.3678 0.3678
Trypanosoma brucei RNA helicase, putative 0.0167 0.255 0.6801
Brugia malayi Carboxylesterase family protein 0.0104 0.1502 0.137
Loa Loa (eye worm) acetylcholinesterase 1 0.0614 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Brugia malayi Carboxylesterase family protein 0.0614 1 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.056 1
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0234 0.3678 1
Echinococcus granulosus BC026374 protein S09 family 0.0104 0.1502 0.1502
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.1502 0.1502
Echinococcus multilocularis acetylcholinesterase 0.0614 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0631 0.1359
Echinococcus granulosus Msx-like 0.0225 0.3518 0.3518
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.056 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2689 0.2576
Echinococcus granulosus acetylcholinesterase 0.0614 1 1
Onchocerca volvulus 0.0104 0.1502 0.2707
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.0306 0.0306
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0234 0.3678 0.3678
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0023 0.0157 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0374 0.0374
Onchocerca volvulus 0.0104 0.1502 0.2707
Mycobacterium tuberculosis Carboxylesterase LipT 0.0104 0.1502 0.3828
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0104 0.1502 0.3077
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0152
Onchocerca volvulus 0.0286 0.4539 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2608 0.2608
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0234 0.3678 1
Echinococcus multilocularis neuroligin 0.0104 0.1502 0.1502
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.0306 0.0306
Onchocerca volvulus 0.0104 0.1502 0.2707
Brugia malayi Pre-SET motif family protein 0.0251 0.396 0.3867
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0631 0.0631
Trichomonas vaginalis spcc417.12 protein, putative 0.0104 0.1502 0.3077
Brugia malayi Carboxylesterase family protein 0.0104 0.1502 0.137
Echinococcus multilocularis BC026374 protein (S09 family) 0.0104 0.1502 0.1502
Loa Loa (eye worm) carboxylesterase 0.0104 0.1502 0.137
Plasmodium vivax SET domain protein, putative 0.0036 0.0374 0.063
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0023 0.0157 0.0013
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0234 0.3678 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.1502 0.1502
Toxoplasma gondii acyltransferase domain-containing protein 0.0234 0.3678 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0023 0.0157 0.0013
Brugia malayi Carboxylesterase family protein 0.0104 0.1502 0.137
Brugia malayi hypothetical protein 0.0104 0.1502 0.137
Loa Loa (eye worm) acyltransferase 0.0234 0.3678 0.358
Loa Loa (eye worm) acetyltransferase 0.0175 0.2689 0.2576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0374 0.0374
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.056 0.1156
Schistosoma mansoni neuroligin 3 (S09 family) 0.0104 0.1502 0.1502
Trichomonas vaginalis set domain proteins, putative 0.0286 0.4539 1
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0234 0.3678 0.3678
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Brugia malayi Carboxylesterase family protein 0.0104 0.1502 0.137
Schistosoma mansoni transcription factor 0.0225 0.3518 0.3518
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0234 0.3678 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0374 0.0374
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0225 0.3518 0.9545
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0352 0.0352
Loa Loa (eye worm) carboxylesterase 0.0104 0.1502 0.137
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0234 0.3678 0.3678
Loa Loa (eye worm) hypothetical protein 0.0234 0.3678 0.358
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.396 0.3867
Loa Loa (eye worm) hypothetical protein 0.0614 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0104 0.1502 0.3828
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0104 0.1502 0.1502
Echinococcus multilocularis homeobox 0.0225 0.3518 0.3518
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0152
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0104 0.1502 0.1502
Echinococcus multilocularis carboxylesterase 5A 0.0614 1 1
Loa Loa (eye worm) hypothetical protein 0.0225 0.3518 0.3417
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Echinococcus multilocularis para nitrobenzyl esterase 0.0104 0.1502 0.1502
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0234 0.3678 1
Echinococcus multilocularis acetylcholinesterase 0.0614 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0104 0.1502 0.1502
Loa Loa (eye worm) hypothetical protein 0.0234 0.3678 0.358
Echinococcus granulosus para nitrobenzyl esterase 0.0104 0.1502 0.1502
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0374 0.0374
Brugia malayi Acyltransferase family protein 0.0234 0.3678 0.358
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0152 0.0152
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0631 0.1359
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0234 0.3678 1
Loa Loa (eye worm) hypothetical protein 0.0614 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0631 0.1092
Loa Loa (eye worm) carboxylesterase 0.0614 1 1
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0234 0.3678 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0234 0.3678 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0374 0.063
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0104 0.1502 0.3828
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0234 0.3678 0.3678
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0234 0.3678 0.3678
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0234 0.3678 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0234 0.3678 0.3678
Onchocerca volvulus 0.0104 0.1502 0.2707
Echinococcus granulosus neuroligin 0.0104 0.1502 0.1502
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0152 0.0152
Onchocerca volvulus 0.0104 0.1502 0.2707
Schistosoma mansoni acetylcholinesterase 0.0104 0.1502 0.1502
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0234 0.3678 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2689 0.2689
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0104 0.1502 0.3828
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0614 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0374 0.0226
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0104 0.1502 0.1502
Loa Loa (eye worm) hypothetical protein 0.0104 0.1502 0.137
Schistosoma mansoni hypothetical protein 0.0167 0.255 0.255
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0374 0.0374
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0234 0.3678 1
Echinococcus granulosus carboxylesterase 5A 0.0614 1 1
Echinococcus granulosus acetylcholinesterase 0.0614 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0631 0.1359
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0374 0.0374
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2689 0.2689
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0374 0.0374
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0023 0.0157 0.0013
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0234 0.3678 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of BACE1 ChEMBL. 22704921
IC50 (binding) Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method ChEMBL. 24389509
IC50 (binding) Inhibition of equine serum BChE after 15 mins incubation by spectrophotometry based Ellman's method ChEMBL. 22341944
IC50 (binding) = 34.6 10'-6M Inhibition of bovine AChE ChEMBL. 18479118
IC50 (binding) = 6289 nM Inhibition of bovine AChE by Ellman's method ChEMBL. 19663388
IC50 (binding) = 7140 nM Inhibition of AChE ChEMBL. 20053484
IC50 (binding) = 13200 nM Inhibition of human recombinant butyrylcholinesterase ChEMBL. 17850125
IC50 (binding) = 13200 nM Inhibition of Butyrylcholinesterase ChEMBL. 15633997
IC50 (binding) = 13200 nM Inhibition of human recombinant butyrylcholinesterase ChEMBL. 17850125
IC50 (binding) = 13200 nM Inhibition of human serum BChE by Ellman's assay ChEMBL. 18954037
IC50 (binding) = 13200 nM Inhibition of human serum BChE by Ellman's method ChEMBL. 19663388
IC50 (binding) = 32300 nM Inhibition of human recombinant acetylcholinesterase ChEMBL. 17850125
IC50 (binding) = 32300 nM Inhibition of Acetylcholinesterase ChEMBL. 15633997
IC50 (binding) = 32300 nM Inhibition of human recombinant acetylcholinesterase ChEMBL. 17850125
IC50 (binding) = 32300 nM Inhibition of human recombinant AChE by Ellman's assay ChEMBL. 18954037
IC50 (binding) = 32300 nM Inhibition of AChE in human erythrocytes by Ellman's method ChEMBL. 19663388
IC50 (binding) = 1.1 uM Inhibition of wild type mouse AChE expressed in HEK293 cells using ATCh as substrate ChEMBL. 23984975
IC50 (binding) = 3 uM Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay ChEMBL. 22695131
IC50 (binding) = 6.8 uM Tested for the binding of [3H]-dizocilpine to DEPC (diethylpyrocarbonate) membranes of rat ChEMBL. No reference
IC50 (functional) = 12.6 uM Inhibitory concentration of the compound was determined against amyloid-beta aggregation ChEMBL. 15633997
IC50 (binding) = 12.6 uM Inhibition of human AchE-induced amyloid beta aggregation ChEMBL. 18181565
IC50 (binding) = 12.8 uM Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method ChEMBL. 18333606
IC50 (binding) = 12.8 uM Inhibition of human recombinant AChE-induced amyloid beta aggregation by thioflavin T fluorescence method ChEMBL. 18333606
IC50 (functional) = 13 uM Inhibition of human AChE-induced beta amyloid peptide(1-40) aggregation by thioflavin T-based fluorometric assay ChEMBL. 16279781
IC50 (binding) = 13.2 uM Inhibition of human BChE using butyrylthiocholine iodide as substrate by Ellman's method ChEMBL. 21397996
IC50 (binding) = 13.2 uM Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after 5 mins by Ellman's method ChEMBL. 24389509
IC50 (binding) = 32 uM Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's assay ChEMBL. 21397996
IC50 (binding) = 32.2 uM Inhibition of human AChE by Ellman's method ChEMBL. 23062825
IC50 (binding) = 32.3 uM Inhibition of human AchE ChEMBL. 18181565
IC50 (binding) = 32.3 uM Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's method ChEMBL. 24389509
IC50 (binding) > 1000 uM Tested for the binding of [3H]-dizocilpine to NMDA receptor in rat brain membranes in the presence of 500 microM spermidine ChEMBL. No reference
Imax (binding) Inhibition of amyloid beta(1 to 42) (unknown origin) self-aggregation at 25 uM after 48 hrs by ThT fluorescence assay relative to control ChEMBL. 23501115
Imax (binding) = 84.5 % Non-competitive inhibition of acetylcholinesterase (unknown origin)-induced amyloid beta(1 to 42) aggregation at 25 uM after 6 hrs by ThT fluorescence assay relative to control ChEMBL. 23501115
Inhibition (binding) Inhibition of human recombinant BACE1 at 2.5 uM by fluorimetric assay ChEMBL. 19663388
Inhibition (binding) Inhibition of Electrophorus electricus AChE-induced amyloid beta (1-40) aggregation at 25 uM by thioflavin T fluorescence assay ChEMBL. 20176490
Inhibition (binding) = 33.9 % Inhibition of electric eel AChE-mediated amyloid beta (1 to 40) fibril formation at 10 uM after 24 hrs by thioflavin T fluorescence method ChEMBL. 23062825
Inhibition (binding) = 39.9 % Inhibition of Electrophorus electricus AChE-induced beta-amyloid (1 to 40) aggregation at 10 uM after 8 hrs by thioflavin-T based fluorescence assay ChEMBL. 22341944
Inhibition (functional) = 46 % Inhibition of beta amyloid protein 40 aggregation at 100 uM by thioflavin T-based fluorometric assay ChEMBL. 16279781
Inhibition (binding) = 54.1 % Inhibition of human recombinant AChE-mediated amyloid beta (1-40) aggregation at 100 uM after 48 hrs by thioflavin T fluorescence assay ChEMBL. 21939219
Inhibition (binding) = 61.1 % Inhibition of self-induced amyloid beta (1-40) aggregation at 10 uM by thioflavin T based fluorometric assay ChEMBL. 17850125
Inhibition (binding) = 61.1 % Inhibition of self-induced amyloid beta (1-40) aggregation at 10 uM by thioflavin T based fluorometric assay ChEMBL. 17850125
Inhibition (binding) = 61.1 % Inhibition of self-induced amyloid beta (1-40) aggregation at 10 uM by thioflavin T formation assay ChEMBL. 18954037
Inhibition (binding) = 78 % Inhibition of AChE-induced of PrP82-146 aggregation at 100 uM ChEMBL. 22185619
Inhibition (binding) = 82 % Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation at 100 uM by thioflavin T formation assay ChEMBL. 18954037
Inhibition (binding) = 82 % Inhibition of human recombinant AChE-mediated amyloid beta aggregation at 100 uM ChEMBL. 19243862
Inhibition (binding) = 82 % Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation at 100 uM by thioflavin T fluorescence method ChEMBL. 19663388
Inhibition (binding) = 82 % Inhibition of human AChE-induced beta-amyloid (1-40) aggregation at 100 uM by thioflavin-T based fluorimetric assay ChEMBL. 21397996
Inhibition (binding) = 82 % Inhibition of human recombinant AChE-induced amyloid beta (1-40) aggregation assessed as fibril formation at 100 uM by thioflavin T-based fluorometric assay ChEMBL. 21435752
Inhibition (binding) = 82 % Non-competitive inhibition of human recombinant AChE-induced beta-amyloid (1 to 40) aggregation at 100 uM by thioflavin-T based fluorimetric assay ChEMBL. 22341944
Inhibition (binding) = 82 % Inhibition of human recombinant AChE-induced Abeta1-40 aggregation at 100 uM by thioflavin T fluorescence method ChEMBL. 22185619
Inhibition (binding) = 82 % Inhibition of human AChE-induced amyloid beta (1 to 40) aggregation at 100 uM after 24 hrs by thioflavin T-based fluorescence analysis ChEMBL. 22704921
Inhibition (binding) = 82 % Inhibition of human recombinant AChE assessed as reduction in Abeta fibrillogenesis at 100 uM by thioflavin T fluorescence spectroscopy ChEMBL. No reference
Inhibition (binding) = 82.1 % Inhibition of human AChE-induced amyloid beta (1-40) aggregation at 100 uM after 24 hrs by thioflavin T-based fluorometric assay ChEMBL. 21873056
Inhibition (binding) = 84.9 % Inhibition of human AChE-induced amyloid beta (1-40) aggregation at 100 uM after 24 hrs by thioflavin T based fluorometric assay ChEMBL. 21429752
Inhibition (binding) = 85 % Inhibition of Electrophorus electricus AChE-induced beta-amyloid (1 to 40) aggregation at 100 uM after 8 hrs by thioflavin-T based fluorescence assay ChEMBL. 22341944
Inhibition (binding) = 85.6 % Inhibition of human recombinant AChE-induced amyloid beta aggregation at 100 uM by thioflavin T fluorescence method ChEMBL. 18333606
Inhibition (binding) = 85.6 % Inhibition of human recombinant AChE-induced amyloid beta aggregation at 100 uM by thioflavin T fluorescence method ChEMBL. 18333606
Inhibition (binding) = 87 % Inhibition of bovine AChE-induced coumarin-tagged PrP106-126 aggregation at 100 uM after 48 hrs by fluorescence microscopy ChEMBL. 22185619
Inhibition (binding) = 89.8 % Inhibition of self-induced amyloid beta (1-42) aggregation at 50 uM by thioflavin T fluorescence method ChEMBL. 19663388
Inhibition (binding) = 93.1 % Inhibition of electric eel AChE-mediated amyloid beta (1 to 40) fibril formation at 100 uM after 24 hrs by thioflavin T fluorescence method ChEMBL. 23062825
Inhibition (binding) = 98.6 % Inhibition of human recombinant AChE-induced amyloid beta aggregation at 200 uM by thioflavin T fluorescence method ChEMBL. 18333606
Inhibition (binding) = 98.6 % Inhibition of human recombinant AChE-induced amyloid beta aggregation at 200 uM by thioflavin T fluorescence method ChEMBL. 18333606
K (binding) > 5 M-1 Binding affinity for DNA at pH 7 ChEMBL. 1704921
Kd (binding) = 1150 min-1 Tested for the dissociation of [3H]-dizocilpine binding at a concentration 30 microM ChEMBL. No reference
Kd (binding) = 1880 min-1 Tested for the dissociation of [3H]-dizocilpine binding at a concentration 3 microM ChEMBL. No reference
Kd (binding) = 1.1 uM Dissociation constant of the compound towards Acetylcholinesterase in mouse ChEMBL. 15214773
Ki (binding) = 2.23 10'-6M Inhibition of mouse AChE ChEMBL. 18479118
Ki (binding) = 3.73 10'-6M Inhibition of Torpedo californica AChE ChEMBL. 18479118
Ki (binding) = 6800 nM Inhibition of Electrophorus electricus AChE by Ellman's method ChEMBL. 18640842
Ki (binding) = 7140 nM Competitive inhibition constant for Acetylcholinesterase ChEMBL. 15633997
Ki (binding) = 8.6 uM Binding affinity to Electrophorus electricus AChE peripheral anionic site ChEMBL. 20656495
Ki (binding) = 8.9 uM Binding affinity to Electrophorus electricus AChE peripheral anionic site ChEMBL. 20656495
Potency (functional) 0.2332 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.1192 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

24 literature references were collected for this gene.

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