Detailed information for compound 1312824

Basic information

Technical information
  • TDR Targets ID: 1312824
  • Name: methyl 4-[(2-pyridin-2-ylsulfanylacetyl)amino ]benzoate
  • MW: 302.348 | Formula: C15H14N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)CSc1ccccn1
  • InChi: 1S/C15H14N2O3S/c1-20-15(19)11-5-7-12(8-6-11)17-13(18)10-21-14-4-2-3-9-16-14/h2-9H,10H2,1H3,(H,17,18)
  • InChiKey: PMODPQZLZHRTHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[[2-(2-pyridylsulfanyl)acetyl]amino]benzoate
  • 4-[[1-oxo-2-(2-pyridylthio)ethyl]amino]benzoic acid methyl ester
  • 4-[[2-(2-pyridylthio)acetyl]amino]benzoic acid methyl ester
  • methyl 4-(2-pyridin-2-ylsulfanylethanoylamino)benzoate
  • ZINC00468631
  • 4-[2-(Pyridin-2-ylsulfanyl)-acetylamino]-benzoic acid methyl ester
  • BAS 05949539
  • MLS000537286
  • SMR000143703
  • methyl 4-{[(2-pyridinylthio)acetyl]amino}benzoate
  • STK219978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens regulator of G-protein signaling 12 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni regulator of G protein signaling 0.0007 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0057 0.0057
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.004 0.004
Echinococcus multilocularis aldo keto reductase 0.1442 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.004 0.004
Onchocerca volvulus 0.0286 0.1948 0.1916
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Onchocerca volvulus 0.0036 0.0206 0.0167
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Echinococcus granulosus aldo keto reductase 0.1442 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0037 0.021 0.0004
Loa Loa (eye worm) oxidoreductase 0.1442 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1442 1 1
Schistosoma mansoni aldo-keto reductase 0.1442 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0037 0.021 0.021
Trichomonas vaginalis conserved hypothetical protein 0.0418 0.2865 0.1138
Loa Loa (eye worm) oxidoreductase 0.1442 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.004 0.004
Schistosoma mansoni nuclear hormone receptor 0.0012 0.004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.004 0.004
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.004 0.004
Echinococcus multilocularis raf serine:threonine protein kinase 0.0052 0.0318 0.0318
Loa Loa (eye worm) GoLoco domain-containing protein family protein 0.0015 0.0057 0.0057
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0037 0.021 0.021
Leishmania major prostaglandin f synthase, putative 0.1442 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0037 0.021 0.021
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Brugia malayi NADH-dependent xylose reductase 0.0418 0.2865 0.2865
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.004 0.004
Trypanosoma cruzi aldo/keto reductase, putative 0.1442 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.004 0.004
Echinococcus multilocularis aldo keto reductase 0.1442 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5761 0.5761
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0418 0.2865 0.1138
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0037 0.021 0.0015
Loa Loa (eye worm) hypothetical protein 0.1442 1 1
Brugia malayi GoLoco motif family protein 0.0015 0.0057 0.0057
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.004 0.004
Echinococcus multilocularis aldo keto reductase 0.1442 1 1
Brugia malayi TAR-binding protein 0.0076 0.0488 0.0488
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.004 0.004
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.004 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.004 0.004
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.004 0.004
Echinococcus granulosus aldo keto reductase 0.1442 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.004 0.004
Brugia malayi Isocitrate dehydrogenase 0.0037 0.021 0.021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.004 0.004
Onchocerca volvulus 0.0418 0.2865 0.2836
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0466 0.0466
Entamoeba histolytica aldose reductase, putative 0.1442 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0418 0.2865 0.2714
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0037 0.021 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0206
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.004 0.004
Loa Loa (eye worm) oxidoreductase 0.1442 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0206 0.0206
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.004 0.004
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0466 0.0261
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0466 0.0466
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.004 0.004
Echinococcus granulosus tar DNA binding protein 0.0076 0.0488 0.0488
Onchocerca volvulus 0.1442 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0466 0.0466
Brugia malayi nuclear receptor NHR-88 0.0012 0.004 0.004
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.004 0.004
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0418 0.2865 0.2865
Echinococcus granulosus aldo keto reductase 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0466 0.0261
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0418 0.2865 0.2714
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.004 0.004
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0488 0.0488
Loa Loa (eye worm) raf kinase 0.0052 0.0318 0.0318
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0037 0.021 0.021
Onchocerca volvulus 0.1442 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.004 0.004
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.004 0.004
Loa Loa (eye worm) isocitrate dehydrogenase 0.0037 0.021 0.021
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1442 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0466 0.0466
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0418 0.2865 1
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.004 0.004
Trichomonas vaginalis aldo/keto reductase, putative 0.1442 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.004 0.004
Trypanosoma brucei aldo/keto reductase, putative 0.0418 0.2865 0.2711
Schistosoma mansoni aldo-keto reductase 0.1442 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Mycobacterium tuberculosis Conserved protein 0.0418 0.2865 0.2711
Brugia malayi ecdysteroid receptor 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0418 0.2865 0.2711
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.004 0.004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.004 0.004
Brugia malayi Raf kinase 0.0052 0.0318 0.0318
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.004 0.004
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5761 0.5761
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.004 0.004
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0206 0.0206
Schistosoma mansoni pol-related 0.1442 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Echinococcus granulosus raf serine:threonine protein kinase 0.0052 0.0318 0.0318
Entamoeba histolytica aldose reductase, putative 0.1442 1 1
Echinococcus granulosus hypothetical protein 0.1442 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0206 0.0206
Mycobacterium ulcerans hypothetical protein 0.0418 0.2865 0.2516
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.0418 0.2865 0.1138
Brugia malayi steroid hormone receptor 0.0012 0.004 0.004
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.004 0.004
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0488 0.0488
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.004 0.004
Giardia lamblia Aldose reductase 0.1442 1 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Loa Loa (eye worm) oxidoreductase 0.1442 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0037 0.021 0.021
Leishmania major aldo-keto reductase-like protein 0.1442 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Brugia malayi RNA binding protein 0.0076 0.0488 0.0488
Echinococcus granulosus G protein signaling modulator 2 0.0015 0.0057 0.0057
Plasmodium falciparum aldehyde reductase, putative 0.0418 0.2865 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0418 0.2865 0.2865
Brugia malayi isocitrate dehydrogenase 0.0037 0.021 0.021
Trichomonas vaginalis aldo-keto reductase, putative 0.0418 0.2865 0.1138
Onchocerca volvulus 0.1442 1 1
Onchocerca volvulus 0.1442 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0037 0.021 0.021
Trichomonas vaginalis aldo/keto reductase, putative 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1442 1 1
Toxoplasma gondii aldo-keto reductase 0.0418 0.2865 0.2714
Echinococcus multilocularis aldo keto reductase 0.1442 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.0418 0.2865 0.1138
Echinococcus multilocularis voltage gated potassium channel subunit 0.0418 0.2865 0.2865
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.004 0.004
Brugia malayi nuclear hormone receptor 0.0012 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0036 0.0206 0.0206
Loa Loa (eye worm) RNA binding protein 0.0076 0.0488 0.0488
Echinococcus multilocularis G protein signaling modulator 2 0.0015 0.0057 0.0057
Brugia malayi GoLoco motif family protein 0.0015 0.0057 0.0057
Brugia malayi Pre-SET motif family protein 0.0036 0.0206 0.0206
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1442 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Loa Loa (eye worm) oxidoreductase 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0488 0.0488
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1442 1 1
Giardia lamblia Aldose reductase 0.1442 1 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0488 0.0488
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus granulosus aldehyde reductase 0.1024 0.709 0.709
Toxoplasma gondii aldose reductase, putative 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.004 0.004
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0488 0.0488
Echinococcus granulosus FTZ F1 alpha 0.0012 0.004 0.004
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.004 0.004
Plasmodium vivax aldehyde reductase, putative 0.0418 0.2865 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Entamoeba histolytica aldose reductase, putative 0.1442 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1442 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.004 0.004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.004 0.004
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0488 0.0488
Echinococcus granulosus voltage gated potassium channel subunit 0.0418 0.2865 0.2865
Loa Loa (eye worm) hypothetical protein 0.0012 0.004 0.004
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1442 1 1
Mycobacterium leprae Conserved hypothetical protein 0.1024 0.709 0.5922
Echinococcus multilocularis aldehyde reductase 0.1024 0.709 0.709
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1442 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.004 0.004
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.004 0.004
Trichomonas vaginalis aldo-keto reductase, putative 0.1442 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0037 0.021 0.021
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5761 0.5761
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.004 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.004 0.004
Schistosoma mansoni thyroid hormone receptor 0.0012 0.004 0.004
Trypanosoma brucei prostaglandin f synthase 0.1442 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0488 0.0488
Trypanosoma cruzi aldo-keto reductase 0.1442 1 1
Onchocerca volvulus 0.1442 1 1
Schistosoma mansoni coup transcription factor 0.0012 0.004 0.004
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1442 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.004 0.004
Plasmodium falciparum aldo-keto reductase, putative 0.0418 0.2865 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1706 0.1706
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0206 0.0206
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.004 0.004
Trypanosoma brucei aldo-keto reductase, putative 0.1442 1 1
Schistosoma mansoni potassium channel beta 0.0418 0.2865 0.2865
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.004 0.004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.004 0.004
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0318 0.0318
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1442 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0418 0.2865 0.2865
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0488 0.0488
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1706 0.1706
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0488 0.0488
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0466 0.0265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.004 0.004
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.004 0.004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0206 0.0206
Trypanosoma cruzi aldo/keto reductase, putative 0.0418 0.2865 0.2711
Onchocerca volvulus 0.1442 1 1
Mycobacterium ulcerans oxidoreductase 0.1442 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0057 0.0057
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0197 0.0197

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 5.6234 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) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 15.8489 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) = 19.9526 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of RGS12 GoLoco Motif Activity (Red Fluorophore). (Class of assay: confirmatory) [Related pubchem assays: 880 (qHTS Assay for Inhibitors of RGS12 GoLoco Motif Activity (Red Fluorophore)), 879 (qHTS Assay for Inhibitors of RGS12 GoLoco Motif Activity (Green Fluorophore))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) 25.9185 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) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 37.933 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

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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