Detailed information for compound 1277960

Basic information

Technical information
  • TDR Targets ID: 1277960
  • Name: 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morphol in-4-ylethanone; sulfuric acid
  • MW: 412.5 | Formula: C19H28N2O6S
  • H donors: 2 H acceptors: 5 LogP: 1.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OS(=O)(=O)O.CCC1(CC)Cc2ccccc2C(=N1)CC(=O)N1CCOCC1
  • InChi: 1S/C19H26N2O2.H2O4S/c1-3-19(4-2)14-15-7-5-6-8-16(15)17(20-19)13-18(22)21-9-11-23-12-10-21;1-5(2,3)4/h5-8H,3-4,9-14H2,1-2H3;(H2,1,2,3,4)
  • InChiKey: ZSJVKHSYJLRVOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholino-ethanone; sulfuric acid
  • 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholinoethanone; sulfuric acid
  • 2-(3,3-diethyl-4H-isoquinolin-1-yl)-1-morpholin-4-yl-ethanone; sulfuric acid
  • 3,3-diethyl-1-[2-(4-morpholinyl)-2-oxoethyl]-3,4-dihydroisoquinoline sulfate
  • MLS000532728
  • SMR000140166

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cpg binding protein 0.003 0.1693 0.3597
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.022 0.022
Schistosoma mansoni nocturnin 0.0016 0.0764 0.1624
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Onchocerca volvulus Inositol monophosphatase 3 homolog 0.0004 0.0032 0.0034
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0078 0.4707 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.4004 0.8506
Entamoeba histolytica hypothetical protein 0.0039 0.2231 0.4741
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.2297 0.488
Echinococcus granulosus synaptojanin 1 0.0016 0.0764 0.0764
Mycobacterium tuberculosis Probable exported protein 0.0016 0.0764 0.1624
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0323 0.0323
Echinococcus multilocularis neutral sphingomyelinase 0.0016 0.0764 0.0764
Schistosoma mansoni methionine-tRNA synthetase 0.0023 0.1217 0.2585
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.3632 0.7717
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0016 0.0764 0.1624
Schistosoma mansoni cpg binding protein 0.0029 0.1589 0.3376
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0078 0.4707 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0028 0.006
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0004 0.0032 0.0068
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative 0.0004 0.0032 0.0068
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0764 0.1624
Brugia malayi CCR4 0.0016 0.0764 0.0764
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0016 0.0764 0.1624
Schistosoma mansoni pap-inositol-14-phosphatase 0.0004 0.0032 0.0068
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.006 0.3565 0.7574
Toxoplasma gondii hypothetical protein 0.0004 0.0032 0.0068
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Brugia malayi hypothetical protein 0.0039 0.2231 0.2231
Mycobacterium leprae POSSIBLE MONOPHOSPHATASE CYSQ 0.0004 0.0032 0.009
Schistosoma mansoni hypothetical protein 0.0016 0.0764 0.1624
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4004 0.8506
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.2297 0.488
Schistosoma mansoni neutral sphingomyelinase 0.0016 0.0764 0.1624
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0078 0.4707 0.4707
Mycobacterium ulcerans monophosphatase CysQ 0.0004 0.0032 0.0068
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0016 0.0764 0.1624
Loa Loa (eye worm) hypothetical protein 0.0151 0.9355 0.9355
Brugia malayi Inositol monophosphatase family protein 0.0004 0.0032 0.0032
Onchocerca volvulus 0.0037 0.2115 0.2261
Loa Loa (eye worm) hypothetical protein 0.0023 0.1217 0.1217
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.4707 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.2231 0.2231
Plasmodium vivax methionine--tRNA ligase, putative 0.0023 0.1217 0.1148
Treponema pallidum methionyl-tRNA synthetase 0.0023 0.1217 0.2585
Leishmania major methionyl-tRNA synthetase, putative 0.006 0.3565 0.7574
Schistosoma mansoni carbon catabolite repressor protein 0.0016 0.0764 0.1624
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.2297 0.488
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.4004 0.8506
Schistosoma mansoni myo inositol monophosphatase 0.0004 0.0032 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.29 0.6162
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0023 0.1217 0.2585
Giardia lamblia hypothetical protein 0.0016 0.0764 0.1624
Treponema pallidum leucyl-tRNA synthetase 0.0023 0.1217 0.2585
Brugia malayi hypothetical protein 0.0151 0.9355 0.9355
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.022 0.022
Trypanosoma cruzi mitochondrial protein 99, putative 0.0016 0.0764 0.1624
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.29 0.29
Leishmania major leucyl-tRNA synthetase, putative 0.0023 0.1217 0.2585
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0078 0.4707 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.3219 0.684
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.29 0.29
Onchocerca volvulus 0.0029 0.1589 0.1699
Echinococcus multilocularis deoxyribonuclease 1 2 0.0016 0.0764 0.0764
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.022 0.022
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0078 0.4707 1
Plasmodium vivax hypothetical protein, conserved 0.0023 0.1217 0.1148
Schistosoma mansoni cript-related 0.0016 0.0764 0.1624
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0764 0.0764
Echinococcus multilocularis leucyl tRNA synthetase 0.0023 0.1217 0.1217
Entamoeba histolytica hypothetical protein 0.0039 0.2231 0.4741
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.2297 0.488
Trichomonas vaginalis inositol monophosphatase, putative 0.0004 0.0032 0.0068
Mycobacterium leprae Probable monophosphatase 0.0004 0.0032 0.009
Echinococcus granulosus methionine tRNA synthetase 0.006 0.3565 0.3565
Chlamydia trachomatis methionine--tRNA ligase 0.0023 0.1217 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.2297 0.488
Schistosoma mansoni ap endonuclease 0.0078 0.4707 1
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0016 0.0764 0.1624
Chlamydia trachomatis leucine--tRNA ligase 0.0023 0.1217 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.29 0.6162
Giardia lamblia Leucyl-tRNA synthetase 0.0023 0.1217 0.2585
Schistosoma mansoni synaptojanin 0.0016 0.0764 0.1624
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0016 0.0764 0.0764
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0023 0.1217 0.1217
Onchocerca volvulus 0.0151 0.9355 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.2231 0.4741
Schistosoma mansoni hypothetical protein 0.0004 0.0032 0.0068
Brugia malayi CXXC zinc finger family protein 0.0029 0.1589 0.1589
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative 0.0004 0.0032 0.0068
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0078 0.4707 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0764 0.0764
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Toxoplasma gondii methionyl-tRNA synthetase 0.006 0.3565 0.7574
Echinococcus granulosus inositol monophosphatase 1 0.004 0.2297 0.2297
Brugia malayi methionyl-tRNA synthetase 0.0023 0.1217 0.1217
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0078 0.4707 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0078 0.4707 1
Leishmania major myo-inositol-1 phosphatase, putative 0.0004 0.0032 0.0068
Entamoeba histolytica hypothetical protein 0.0039 0.2231 0.4741
Mycobacterium ulcerans inositol-monophosphatase ImpA 0.0004 0.0032 0.0068
Toxoplasma gondii exonuclease III APE 0.0078 0.4707 1
Brugia malayi Inositol-1 0.004 0.2297 0.2297
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0331 0.0331
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0016 0.0764 0.1624
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0016 0.0764 0.0764
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0016 0.0764 0.1624
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0016 0.0764 0.1624
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.4004 0.4004
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0764 0.0764
Trypanosoma brucei inositol polyphosphate 1-phosphatase, putative 0.0004 0.0032 0.0068
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Echinococcus multilocularis 3'(2'),5' bisphosphate nucleotidase 1 0.0004 0.0032 0.0032
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.4004 0.8506
Loa Loa (eye worm) hypothetical protein 0.0016 0.0764 0.0764
Leishmania major RNA-editing complex protein MP100, putative 0.0016 0.0764 0.1624
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.2032 0.4317
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0331 0.0331
Brugia malayi methionyl-tRNA synthetase 0.006 0.3565 0.3565
Onchocerca volvulus Putative neutral sphingomyelinase 0.0016 0.0764 0.0817
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0078 0.4707 0.4707
Echinococcus multilocularis muscleblind protein 0.0161 1 1
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0016 0.0764 0.1624
Plasmodium falciparum methionine--tRNA ligase 0.006 0.3565 0.7103
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0016 0.0764 0.0764
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0331 0.0331
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.4004 0.8506
Echinococcus granulosus neutral sphingomyelinase 0.0016 0.0764 0.0764
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0764 0.0764
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Treponema pallidum exodeoxyribonuclease (exoA) 0.0078 0.4707 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0078 0.4707 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.29 0.29
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.2297 0.488
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.29 0.29
Schistosoma mansoni inositol monophosphatase 0.004 0.2297 0.488
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.2231 0.2231
Brugia malayi protein ZK524.3 0.0023 0.1217 0.1217
Loa Loa (eye worm) hypothetical protein 0.0016 0.0764 0.0764
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.006 0.3565 0.7574
Echinococcus multilocularis inositol monophosphatase 0.0004 0.0032 0.0032
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0016 0.0764 0.0764
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0078 0.4707 0.4707
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0016 0.0764 0.1624
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.2297 0.488
Trichomonas vaginalis helicase, putative 0.0006 0.018 0.0382
Leishmania major hypothetical protein, conserved 0.0016 0.0764 0.1624
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative 0.0004 0.0032 0.0068
Echinococcus multilocularis cpg binding protein 0.003 0.1693 0.1693
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.018 0.0382
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.2297 0.488
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4004 0.8506
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0016 0.0764 0.1624
Giardia lamblia Inositol 5-phosphatase 4 0.0016 0.0764 0.1624
Giardia lamblia Methionyl-tRNA synthetase 0.006 0.3565 0.7574
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0023 0.1217 0.1217
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0764 0.1624
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.2297 0.488
Loa Loa (eye worm) hypothetical protein 0.0023 0.1217 0.1217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.29 0.29
Loa Loa (eye worm) hypothetical protein 0.0161 1 1
Trichomonas vaginalis Phospholipase C precursor, putative 0.0016 0.0764 0.1624
Mycobacterium tuberculosis Probable monophosphatase 0.0004 0.0032 0.0068
Echinococcus granulosus traf and tnf receptor associated protein 0.0016 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.0004 0.0032 0.0032
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0016 0.0764 0.0764
Loa Loa (eye worm) inositol-1 0.004 0.2297 0.2297
Mycobacterium ulcerans methionyl-tRNA synthetase 0.006 0.3565 0.7574
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0016 0.0764 0.1624
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0016 0.0764 0.1624
Loa Loa (eye worm) hypothetical protein 0.0016 0.0764 0.0764
Mycobacterium ulcerans monophosphatase 0.0004 0.0032 0.0068
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.2297 0.488
Brugia malayi exodeoxyribonuclease III family protein 0.0078 0.4707 0.4707
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Echinococcus granulosus cpg binding protein 0.003 0.1693 0.1693
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4004 0.8506
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.2297 0.488
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0016 0.0764 0.1624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.29 0.6162
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Treponema pallidum hypothetical protein 0.0016 0.0764 0.1624
Mycobacterium tuberculosis Monophosphatase CysQ 0.0004 0.0032 0.0068
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.022 0.0467
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.2297 0.2297
Schistosoma mansoni cpg binding protein 0.003 0.1693 0.3597
Schistosoma mansoni ap endonuclease 0.0078 0.4707 1
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0016 0.0764 0.0764
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.4004 0.8506
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Trypanosoma cruzi myo-inositol-1 phosphatase, putative 0.0004 0.0032 0.0068
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0078 0.4707 1
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative 0.0004 0.0032 0.0068
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.4707 1
Leishmania major hypothetical protein, conserved 0.0016 0.0764 0.1624
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0037 0.2115 0.2115
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0016 0.0764 0.1624
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0016 0.0764 0.1624
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0764 0.0764
Brugia malayi Inositol monophosphatase family protein 0.0004 0.0032 0.0032
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.006 0.3565 0.7574
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0016 0.0764 0.1624
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis inositol monophosphatase, putative 0.0004 0.0032 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Mycobacterium ulcerans monophosphatase CysQ 0.0004 0.0032 0.0068
Loa Loa (eye worm) hypothetical protein 0.0023 0.1217 0.1217
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Schistosoma mansoni hypothetical protein 0.0039 0.2231 0.4741
Echinococcus multilocularis traf and tnf receptor associated protein 0.0016 0.0764 0.0764
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.1589 0.1589
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0016 0.0764 0.1624
Echinococcus granulosus 3'2'5' bisphosphate nucleotidase 1 0.0004 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0004 0.0032 0.0068
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.022 0.022
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Echinococcus multilocularis synaptojanin 1 0.0016 0.0764 0.0764
Trichomonas vaginalis ap endonuclease, putative 0.0078 0.4707 1
Trypanosoma cruzi mitochondrial protein 99, putative 0.0016 0.0764 0.1624
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0023 0.1217 0.2585
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0016 0.0764 0.1624
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0016 0.0764 0.1624
Onchocerca volvulus 0.0016 0.0764 0.0817
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.29 0.29
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.018 0.0382
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative 0.0004 0.0032 0.0068
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0016 0.0764 0.1624
Schistosoma mansoni leucyl-tRNA synthetase 0.0023 0.1217 0.2585
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0016 0.0764 0.1624
Plasmodium vivax methionine--tRNA ligase, putative 0.006 0.3565 0.7103
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.2032 0.57
Echinococcus multilocularis muscleblind protein 1 0.0161 1 1
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0016 0.0764 0.1624
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.006 0.3565 0.7574
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0016 0.0764 0.0764
Entamoeba histolytica hypothetical protein 0.0039 0.2231 0.4741
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0078 0.4707 1
Echinococcus granulosus muscleblind protein 0.0161 1 1
Schistosoma mansoni methionine-tRNA synthetase 0.006 0.3565 0.7574
Loa Loa (eye worm) hypothetical protein 0.0004 0.0032 0.0032
Onchocerca volvulus 0.0016 0.0764 0.0817
Echinococcus granulosus inositol monophosphatase 0.0004 0.0032 0.0032
Trypanosoma brucei RNA editing exonuclease 2 0.0016 0.0764 0.1624
Leishmania major hypothetical protein, conserved 0.0016 0.0764 0.1624
Schistosoma mansoni inositol monophosphatase 0.004 0.2297 0.488
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.018 0.0382
Plasmodium falciparum methionine--tRNA ligase, putative 0.0023 0.1217 0.1148
Loa Loa (eye worm) methionyl-tRNA synthetase 0.006 0.3565 0.3565
Leishmania major pantothenate kinase subunit, putative 0.0016 0.0764 0.1624
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0016 0.0764 0.0764
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.006 0.3565 1
Schistosoma mansoni synaptojanin 0.0016 0.0764 0.1624
Giardia lamblia Hypothetical protein 0.0004 0.0032 0.0068
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.4004 0.4004
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Leishmania major inositol polyphosphate 1-phosphatase, putative 0.0004 0.0032 0.0068
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0016 0.0764 0.1624
Toxoplasma gondii tRNA ligases class I (M) protein 0.0023 0.1217 0.2585
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0023 0.1217 0.2585
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.018 0.0382
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.006 0.3565 0.7574
Leishmania major endonuclease/exonuclease protein-like protein 0.0016 0.0764 0.1624
Echinococcus multilocularis methionine tRNA synthetase 0.006 0.3565 0.3565
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0016 0.0764 0.0764

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 39.8107 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 (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

No literature references available for this target.

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