Detailed information for compound 837711

Basic information

Technical information
  • TDR Targets ID: 837711
  • Name: STOCK5S-87876
  • MW: 301.32 | Formula: C14H11N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nnc(s1)NC(=O)c1cc(=O)c2c(o1)cc(cc2)C
  • InChi: 1S/C14H11N3O3S/c1-7-3-4-9-10(18)6-12(20-11(9)5-7)13(19)15-14-17-16-8(2)21-14/h3-6H,1-2H3,(H,15,17,19)
  • InChiKey: NIFXTOCXJLAGJQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC05346261
  • D103-1154
  • NCGC00116023-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0014 0.0013
Echinococcus multilocularis expressed protein 0.0366 0.2636 0.2635
Plasmodium vivax malate dehydrogenase, putative 0.0035 0.021 0.0338
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0087 0.0476
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0084 0.0565 0.2748
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0035 0.021 0.0208
Trypanosoma cruzi malate dehydrogenase, putative 0.0035 0.021 0.3695
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1802 1
Echinococcus multilocularis malate dehydrogenase 0.0035 0.021 0.0208
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0003 0.0003
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0083 0.0561
Leishmania major cytosolic malate dehydrogenase 0.0084 0.0565 1
Entamoeba histolytica malate dehydrogenase, putative 0.0084 0.0565 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Echinococcus multilocularis expressed protein 0.0009 0.0015 0.0013
Brugia malayi MH2 domain containing protein 0.0008 0.0012 0.0057
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0127 0.0203
Trypanosoma brucei cytosolic malate dehydrogenase 0.0084 0.0565 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0003 0.0012
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0007 0.0003 0.0003
Loa Loa (eye worm) malate dehydrogenase 0.0035 0.021 0.1157
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0035 0.021 0.3695
Echinococcus multilocularis lactate dehydrogenase a 0.0035 0.021 0.0208
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0081 0.0547 0.3032
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.009 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0084 0.0565 0.0915
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Echinococcus multilocularis microtubule associated protein 2 0.1369 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.045
Schistosoma mansoni apoferritin-2 0.0009 0.0015 0.0013
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0075 0.0511
Schistosoma mansoni apoptosis regulator bax 0.0081 0.0547 0.0546
Schistosoma mansoni ferritin 0.0009 0.0015 0.0013
Schistosoma mansoni regulator of G protein signaling 0.0019 0.009 0.0088
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.009 0.049
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0012
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0127 0.0203
Echinococcus granulosus ferritin 0.0009 0.0015 0.0013
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.009 0.0088
Echinococcus granulosus expressed protein 0.0366 0.2636 0.2635
Onchocerca volvulus 0.0007 0.0003 0.0008
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.0846 0.616 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0012 0.001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0221 0.022
Schistosoma mansoni regulator of G protein signaling 0.0019 0.009 0.0088
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0081 0.0547 0.0546
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.009 0.0088
Schistosoma mansoni hypothetical protein 0.0411 0.2967 0.2966
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0084 0.0565 0.313
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0084 0.0565 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0003 0.0016
Schistosoma mansoni smad1 5 8 and 0.0008 0.0012 0.001
Schistosoma mansoni cpg binding protein 0.0029 0.0164 0.0162
Plasmodium vivax SET domain protein, putative 0.0037 0.0221 0.0357
Leishmania major mitochondrial malate dehydrogenase 0.0035 0.021 0.3695
Loa Loa (eye worm) hypothetical protein 0.0037 0.0221 0.122
Toxoplasma gondii malate dehydrogenase MDH 0.0035 0.021 0.0338
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0081 0.0547 0.0546
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0003 0.003
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0003 0.003
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0003 0.0003
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0003 0.0003
Leishmania major malate dehydrogenase, putative 0.0035 0.021 0.3695
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.009 0.049
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Schistosoma mansoni smad 0.0008 0.0012 0.001
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.009 0.049
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.009 0.0088
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0015 0.0089
Brugia malayi Pre-SET motif family protein 0.0037 0.0221 0.122
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0221 0.022
Trichomonas vaginalis malate dehydrogenase, putative 0.0017 0.0078 0.0377
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0003 0.0012
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.009 0.0088
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0846 0.616 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0003 0.0002
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0075 0.0511
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0027 0.0026
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0087 0.0086
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0026 0.0138
Chlamydia trachomatis malate dehydrogenase 0.0084 0.0565 0.0794
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0007 0.0003 0.0003
Giardia lamblia Malate dehydrogenase 0.0084 0.0565 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.009 0.049
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0014 0.0013
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0003 0.0002
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0015 0.0021
Schistosoma mansoni malate dehydrogenase 0.0035 0.021 0.0208
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.009 0.0088
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0075 0.0511
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0012 0.0057
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.009 0.049
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.009 0.0088
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.009 0.049
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0003 0.0012
Echinococcus granulosus L lactate dehydrogenase B chain 0.0035 0.021 0.0208
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0084 0.0565 0.2748
Schistosoma mansoni ferritin 0.0009 0.0015 0.0013
Echinococcus granulosus lactate dehydrogenase protein 0.0035 0.021 0.0208
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0012 0.001
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0087 0.152
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0087 0.152
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0846 0.616 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0221 0.022
Schistosoma mansoni axis inhibition protein axin 0.0019 0.009 0.0088
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Brugia malayi hypothetical protein 0.0019 0.009 0.049
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0003 0.0012
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0084 0.0565 0.0563
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0003 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0363 0.0586
Plasmodium falciparum malate dehydrogenase 0.0035 0.021 0.0338
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.009 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Entamoeba histolytica malate dehydrogenase, putative 0.0035 0.021 0.3695
Loa Loa (eye worm) RGS-3 protein 0.0019 0.009 0.049
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Schistosoma mansoni microtubule-associated protein tau 0.1369 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.009 0.0088
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0127 0.2221
Schistosoma mansoni Smad4 0.0008 0.0012 0.001
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Schistosoma mansoni cpg binding protein 0.003 0.0176 0.0174
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0007 0.0003 0.0003
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.009 0.0088
Brugia malayi hypothetical protein 0.0019 0.009 0.049
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0083 0.0131
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0035 0.021 0.3695
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Echinococcus multilocularis lactate dehydrogenase a 0.0035 0.021 0.0208
Brugia malayi lactate dehydrogenase. 0.0035 0.021 0.1157
Echinococcus granulosus geminin 0.017 0.1201 0.12
Schistosoma mansoni ap endonuclease 0.0018 0.0087 0.0086
Toxoplasma gondii exonuclease III APE 0.0018 0.0087 0.0139
Leishmania major malate dehydrogenase 0.0035 0.021 0.3695
Loa Loa (eye worm) histone methyltransferase 0.001 0.0027 0.0142
Loa Loa (eye worm) oxidoreductase 0.0007 0.0003 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0127 0.0695
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Echinococcus granulosus abhydrolase domain containing protein 0.0038 0.0231 0.0229
Onchocerca volvulus 0.0037 0.0221 0.1069
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0221 0.0357
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2056 1
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0846 0.616 1
Echinococcus multilocularis malate dehydrogenase 0.0035 0.021 0.0208
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0127 0.0203
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0003 0.003
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0084 0.0565 1
Echinococcus multilocularis lactate dehydrogenase a 0.0035 0.021 0.0208
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0203 0.1445 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0003 0.0003
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0007 0.0003 0.0009
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0035 0.021 0.0338
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.009 0.049
Echinococcus granulosus axis inhibition protein axin 0.0019 0.009 0.0088
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Trichomonas vaginalis ferritin, putative 0.0009 0.0015 0.0071
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0014 0.0013
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0015 0.0021
Entamoeba histolytica hypothetical protein 0.0019 0.009 0.1566
Echinococcus granulosus malate dehydrogenase 0.0035 0.021 0.0208
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.009 0.049
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Brugia malayi PXA domain containing protein 0.0019 0.009 0.049
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0035 0.021 0.3695
Entamoeba histolytica hypothetical protein 0.0019 0.009 0.1566
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0003 0.0012
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0127 0.2221
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0695
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.009 0.0088
Schistosoma mansoni hypothetical protein 0.017 0.1201 0.12
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0127 0.0203
Loa Loa (eye worm) hypothetical protein 0.0081 0.0547 0.3032
Onchocerca volvulus 0.0007 0.0003 0.0008
Schistosoma mansoni regulator of G protein signaling 0.0019 0.009 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0087 0.0476
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.009 0.0088
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0003 0.003
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.009 0.049
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.045
Brugia malayi CXXC zinc finger family protein 0.0029 0.0164 0.09
Echinococcus multilocularis smad 0.0008 0.0012 0.001
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0221 0.022
Schistosoma mansoni hypothetical protein 0.0081 0.0547 0.0546
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0087 0.0118
Schistosoma mansoni hypothetical protein 0.0081 0.0547 0.0546
Schistosoma mansoni malate dehydrogenase 0.0084 0.0565 0.0563
Echinococcus granulosus malate dehydrogenase 0.0035 0.021 0.0208
Schistosoma mansoni ferritin light chain 0.0009 0.0015 0.0013
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.009 0.0088
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.009 0.0088
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0127 0.0867
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.009 0.0088
Echinococcus granulosus axis inhibition protein axin 0.0019 0.009 0.0088
Schistosoma mansoni ferritin light chain 0.0009 0.0015 0.0013
Mycobacterium ulcerans hypothetical protein 0.0024 0.0127 0.0203
Schistosoma mansoni hydrolase 0.0038 0.0231 0.0229
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.045
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0003 0.0002
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0003 0.0003
Echinococcus granulosus smad 0.0008 0.0012 0.001
Loa Loa (eye worm) hypothetical protein 0.0019 0.009 0.049
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.009 0.0088
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0127 0.0695
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0087 0.0086
Schistosoma mansoni L-lactate dehydrogenase 0.0035 0.021 0.0208
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.009 0.049
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0087 0.152
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0012 0.001
Trichomonas vaginalis malate dehydrogenase, putative 0.0035 0.021 0.102
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0014 0.0013
Plasmodium falciparum lactate dehydrogenase, putative 0.0035 0.021 0.0338
Trichomonas vaginalis malate dehydrogenase, putative 0.0066 0.0433 0.2105
Toxoplasma gondii lactate dehydrogenase LDH1 0.0035 0.021 0.0338
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0035 0.021 0.3695
Brugia malayi PXA domain containing protein 0.0019 0.009 0.049
Brugia malayi MH2 domain containing protein 0.0008 0.0012 0.0057
Echinococcus granulosus lactate dehydrogenase a 0.0035 0.021 0.0208
Echinococcus multilocularis geminin 0.017 0.1201 0.12
Leishmania major hypothetical protein, conserved 0.0038 0.0231 0.4072
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0087 0.152
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0083 0.0131
Toxoplasma gondii lactate dehydrogenase LDH2 0.0035 0.021 0.0338
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.2967 0.2966
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0003 0.0012
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Echinococcus granulosus cytosolic malate dehydrogenase 0.0084 0.0565 0.0563
Echinococcus multilocularis abhydrolase domain containing protein 0.0038 0.0231 0.0229
Onchocerca volvulus 0.0007 0.0003 0.0008
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0411 0.0409
Echinococcus granulosus Smad4 0.0008 0.0012 0.001
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0087 0.0139
Leishmania major malate dehydrogenase, putative 0.0035 0.021 0.3695
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0084 0.0565 0.0563
Brugia malayi MH1 domain containing protein 0.0008 0.0012 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0221 0.022
Echinococcus granulosus cpg binding protein 0.003 0.0176 0.0174
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0087 0.152
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0695
Brugia malayi hydrolase, alpha/beta fold family protein 0.0038 0.0231 0.1274
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0084 0.0565 0.3903
Brugia malayi Smad1 0.0008 0.0012 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0221 0.022
Schistosoma mansoni apoferritin-2 0.0009 0.0015 0.0013
Schistosoma mansoni ferritin 0.0009 0.0015 0.0013
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.009 0.0088
Trypanosoma brucei malate dehydrogenase-related 0.0035 0.021 0.3695
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0003 0.0003
Loa Loa (eye worm) Smad1 0.0008 0.0012 0.0057
Trichomonas vaginalis hydrolase, putative 0.0007 0.0002 0.0008
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0007 0.0003 0.0003
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.009 0.0437
Loa Loa (eye worm) apoptosis regulator protein 0.0081 0.0547 0.3032
Trypanosoma brucei glycosomal malate dehydrogenase 0.0035 0.021 0.3695
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0084 0.0565 0.2748
Onchocerca volvulus 0.0031 0.0181 0.0875
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0012 0.0057
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0007 0.0002 0.0008
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0003 0.003
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0127 0.0203
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Mycobacterium ulcerans malate dehydrogenase 0.0084 0.0565 0.0915
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0127 0.0203
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0127 0.0203
Echinococcus granulosus expressed protein 0.0009 0.0015 0.0013
Onchocerca volvulus 0.0024 0.0127 0.0609
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Echinococcus multilocularis lactate dehydrogenase protein 0.0035 0.021 0.0208
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0127 0.0867
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0035 0.021 0.0318
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0014 0.0013
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0846 0.616 1
Loa Loa (eye worm) hydrolase 0.0038 0.0231 0.1274
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0003 0.003
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0003 0.0016
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0695
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0087 0.0139
Schistosoma mansoni malate dehydrogenase 0.0035 0.021 0.0208
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0003 0.003
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0087 0.0424
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.009 0.0088
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0003 0.0003
Schistosoma mansoni axis inhibition protein axin 0.0019 0.009 0.0088
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0127 0.0203
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0127 0.0203
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0003 0.0009
Loa Loa (eye worm) malate dehydrogenase 0.0084 0.0565 0.313
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0035 0.021 0.1157
Echinococcus granulosus dnaJ subfamily B 0.0411 0.2967 0.2966
Mycobacterium ulcerans acyl-CoA synthetase 0.0008 0.0009 0.0012
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.009 0.0088
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0012 0.001
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.009 0.0088
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.009 0.0088
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0832 0.4613
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0207 0.0205
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0127 0.0695
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0081 0.0547 0.0546
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.009 0.0088
Trypanosoma cruzi malate dehydrogenase, putative 0.0035 0.021 0.3695
Leishmania major glycosomal malate dehydrogenase 0.0035 0.021 0.3695
Schistosoma mansoni hypothetical protein 0.017 0.1201 0.12
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0015 0.0021
Brugia malayi Pre-SET motif family protein 0.0252 0.1802 1
Echinococcus multilocularis ferritin 0.0009 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0035 0.021 0.1157
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.045
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0003 0.0009
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0012
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Brugia malayi MH1 domain containing protein 0.0008 0.0012 0.0057
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0007 0.0003 0.003
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0012 0.001
Loa Loa (eye worm) hypothetical protein 0.0007 0.0003 0.0009
Echinococcus multilocularis Smad4 0.0008 0.0012 0.001
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0012
Entamoeba histolytica hypothetical protein 0.0019 0.009 0.1566
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0127 0.2221
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0007 0.0002 0.0008
Schistosoma mansoni ap endonuclease 0.0018 0.0087 0.0086
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0003 0.0009
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.0846 0.616 1
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.009 0.0088
Schistosoma mansoni regulator of G protein signaling 0.0019 0.009 0.0088
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0003 0.0003
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0846 0.616 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0007 0.0003 0.0003
Schistosoma mansoni ferritin 0.0009 0.0015 0.0013
Echinococcus granulosus lactate dehydrogenase a 0.0035 0.021 0.0208
Plasmodium falciparum L-lactate dehydrogenase 0.0035 0.021 0.0338
Onchocerca volvulus 0.0007 0.0003 0.0008
Leishmania major acetyl-CoA synthetase, putative 0.0007 0.0003 0.003
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.0846 0.616 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0127 0.2221
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0075 0.0511
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0084 0.0565 0.2748
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0003 0.0012
Schistosoma mansoni L-lactate dehydrogenase 0.0035 0.021 0.0208
Schistosoma mansoni smad1 5 8 and 0.0008 0.0012 0.001
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0003 0.0003
Echinococcus granulosus cytosolic malate dehydrogenase 0.0084 0.0565 0.0563
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0087 0.0118
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0164 0.09
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0084 0.0565 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0003 0.0003
Trichomonas vaginalis malate dehydrogenase, putative 0.0084 0.0565 0.2748
Schistosoma mansoni smad1 5 8 and 0.0008 0.0012 0.001
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0083 0.0131
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0031 0.0181 0.3191
Schistosoma mansoni malate dehydrogenase 0.0084 0.0565 0.0563
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0127 0.2221
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Schistosoma mansoni cpg binding protein 0.003 0.0176 0.0174
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0221 0.022
Echinococcus multilocularis cpg binding protein 0.003 0.0176 0.0174
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0087 0.0593
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.009 0.0088
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0003 0.003
Schistosoma mansoni hypothetical protein 0.0081 0.0547 0.0546
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0003 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Schistosoma mansoni regulator of G protein signaling 0.0019 0.009 0.0088
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0087 0.0139
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0127 0.2221
Onchocerca volvulus 0.0287 0.2056 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.009 0.0437
Plasmodium falciparum epoxide hydrolase 1 0.0038 0.0231 0.0373
Plasmodium vivax lactate dehydrogenase 0.0035 0.021 0.0338
Onchocerca volvulus 0.0029 0.0164 0.0789
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0003 0.0003
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0081 0.0547 0.0546
Brugia malayi MH2 domain containing protein 0.012 0.0832 0.4613
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0015 0.0089
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0027 0.0026
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0081 0.0547 0.0546
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0832 0.4613
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0087 0.152
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0087 0.0424

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 17.7828 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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