Detailed information for compound 1321790

Basic information

Technical information
  • TDR Targets ID: 1321790
  • Name: 6-(4-chlorophenyl)-8-[(2-chlorophenyl)methyl] pteridin-7-one
  • MW: 383.231 | Formula: C19H12Cl2N4O
  • H donors: 0 H acceptors: 3 LogP: 3.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2cncnc2n(c1=O)Cc1ccccc1Cl
  • InChi: 1S/C19H12Cl2N4O/c20-14-7-5-12(6-8-14)17-19(26)25(10-13-3-1-2-4-15(13)21)18-16(24-17)9-22-11-23-18/h1-9,11H,10H2
  • InChiKey: AMNVQZQMZVDKNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(4-chlorophenyl)-8-[(2-chlorophenyl)methyl]-7-pteridinone
  • 8-(2-chlorobenzyl)-6-(4-chlorophenyl)pteridin-7-one
  • NCGC00010626
  • PCOP-206090

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis ap endonuclease, putative 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum conserved hypothetical protein 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Theileria parva hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0044 0.2517 0.9683
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.2575 0.2182
Trypanosoma brucei calpain-like protein, putative 0.002 0.0503 0.1952
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0044 0.2517 0.2517
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.2094 0.1675
Echinococcus granulosus cathepsin b 0.0133 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0133 1 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.2575 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.2575 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0735 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.1952
Echinococcus granulosus cathepsin b 0.0133 1 1
Toxoplasma gondii cathepsin B 0.0044 0.2517 1
Schistosoma mansoni calpain-7 (C02 family) 0.0024 0.0805 0.0318
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0735 0.0735
Brugia malayi Cytochrome P450 family protein 0.0036 0.1838 0.1838
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.0503
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.2575 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0503 0.0503
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0033 0.1591 0.1591
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0055 0.3464 0.3118
Schistosoma mansoni ap endonuclease 0.0023 0.0735 0.0245
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0735 0.2854
Loa Loa (eye worm) calpain family protein 1 0.0039 0.2094 0.2094
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0793 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2575 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2094 0.2094
Trypanosoma brucei antigen, putative 0.002 0.0503 0.1952
Brugia malayi Cytochrome P450 family protein 0.0023 0.0793 0.0793
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0503 0.0503
Echinococcus multilocularis cathepsin b 0.0133 1 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2575 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0044 0.2517 0.9773
Brugia malayi calpain 7 0.002 0.0503 0.0503
Leishmania major cytochrome p450-like protein 0.0023 0.0793 0.3079
Brugia malayi calpain family protein 1 0.0053 0.3263 0.3263
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.2575 0.2182
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0503 0.1952
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0793 1
Onchocerca volvulus 0.0033 0.1591 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0503 0.0503
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.2575 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.3263 0.2906
Trypanosoma brucei calpain-like protein, putative 0.002 0.0503 0.1952
Giardia lamblia Cathepsin B precursor 0.0044 0.2517 0.9683
Loa Loa (eye worm) hypothetical protein 0.0047 0.276 0.276
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.0503
Trypanosoma brucei calpain-like protein, putative 0.002 0.0503 0.1952
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0793 0.0793
Brugia malayi calpain family protein 1 0.0053 0.3263 0.3263
Loa Loa (eye worm) calpain family protein 1 0.0053 0.3263 0.3263
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.2575 0.2182
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0735 0.2854
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.1952
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0793 0.3079
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 1 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0133 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.3464 0.3118
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.0503
Giardia lamblia Cathepsin B precursor 0.0044 0.2517 0.9683
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0044 0.2517 0.2121
Echinococcus granulosus calpain A 0.0055 0.3464 0.3118
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2575 0.2575
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0793 0.0793
Loa Loa (eye worm) cathepsin B 0.0044 0.2517 0.2517
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0503 0.0503
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.3464 0.3118
Echinococcus multilocularis calpain A 0.0055 0.3464 0.3118
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.2575 0.2182
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.2575 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.1838 0.1838
Trypanosoma brucei cysteine peptidase C (CPC) 0.0044 0.2517 0.9773
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.2575 0.2575
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.2575 0.2182
Schistosoma mansoni ap endonuclease 0.0023 0.0735 0.0245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0735 0.0735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.1952
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0735 0.5
Loa Loa (eye worm) calpain 0.002 0.0503 0.0503
Schistosoma mansoni calpain-7 (C02 family) 0.0024 0.0805 0.0318
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.2575 0.2182
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0735 0.2854
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.2575 0.2575
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0503 0.0503
Trypanosoma brucei calpain-like protein, putative 0.002 0.0503 0.1952
Echinococcus multilocularis cathepsin b 0.0133 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0735 0.0735
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0735 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0503 0.0503
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.3263 0.3263
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0735 0.0245
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.2575 0.2182
Brugia malayi Cytochrome P450 family protein 0.0023 0.0793 0.0793
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0133 1 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.0503
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0735 0.0245
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0735 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0793 0.0793
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.2575 0.2182
Loa Loa (eye worm) hypothetical protein 0.0045 0.2575 0.2575
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0503 0.1952
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0133 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0735 0.5
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0055 0.3464 0.3118
Giardia lamblia Cathepsin B precursor 0.0044 0.2517 0.9683

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.258925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No literature references available for this target.

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