Detailed information for compound 1293950

Basic information

Technical information
  • TDR Targets ID: 1293950
  • Name: 4-acetyl-3-hydroxy-1-(3-methoxypropyl)-5-pyri din-2-yl-5H-pyrrol-2-one hydrochloride
  • MW: 326.775 | Formula: C15H19ClN2O4
  • H donors: 1 H acceptors: 4 LogP: 1.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCN1C(c2ccccn2)C(=C(C1=O)O)C(=O)C.Cl
  • InChi: 1S/C15H18N2O4.ClH/c1-10(18)12-13(11-6-3-4-7-16-11)17(8-5-9-21-2)15(20)14(12)19;/h3-4,6-7,13,19H,5,8-9H2,1-2H3;1H
  • InChiKey: ZPURDZQKYVSIFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-acetyl-3-hydroxy-1-(3-methoxypropyl)-5-(2-pyridyl)-5H-pyrrol-2-one hydrochloride
  • 4-acetyl-3-hydroxy-1-(3-methoxypropyl)-5-(2-pyridyl)-3-pyrrolin-2-one hydrochloride
  • 4-ethanoyl-3-hydroxy-1-(3-methoxypropyl)-5-pyridin-2-yl-5H-pyrrol-2-one hydrochloride
  • 4-Acetyl-3-hydroxy-1-(3-methoxy-propyl)-5-pyridin-2-yl-1,5-dihydro-pyrrol-2-one
  • MLS000032870
  • SMR000013089

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1502 0.217
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.6818 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.5393 0.5393
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1502 0.1502
Schistosoma mansoni coup transcription factor 0.0012 0.0339 0.0339
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.6921 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0339 0.0339
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0339 0.0339
Trypanosoma brucei trypanothione reductase 0.0046 0.2434 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0569 0.2337
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1502 0.1502
Leishmania major trypanothione reductase 0.0046 0.2434 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0339 0.0339
Brugia malayi MH2 domain containing protein 0.0008 0.008 0.0116
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0339 0.0339
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0339 0.0339
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1011 0.4153
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.5655 0.817
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0098 0.5655 0.817
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0339 0.0339
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0339 0.0339
Loa Loa (eye worm) hypothetical protein 0.0023 0.1011 0.1461
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.1288 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0339 0.049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.5393 0.5393
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.5393 0.5393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0339 0.049
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0339 0.049
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2434 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0569 0.2337
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0649 0.2667
Plasmodium falciparum glutathione reductase 0.0046 0.2434 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0339 0.0339
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0339 0.0339
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1011 0.2551
Treponema pallidum NADH oxidase 0.0016 0.0569 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.5393 0.5393
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1011 0.1461
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.008 0.0116
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0569 0.2337
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.6091 0.8934
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0339 0.0339
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0569 0.2337
Echinococcus granulosus GPCR family 2 0.0031 0.1502 0.1502
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.3733 0.5393
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0339 0.0339
Entamoeba histolytica Flap nuclease, putative 0.0027 0.1288 0.3249
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0339 0.0339
Mycobacterium tuberculosis Probable reductase 0.0105 0.6091 0.8934
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.1288 0.5291
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.1288 0.5291
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.1011 0.1483
Loa Loa (eye worm) hypothetical protein 0.0023 0.1011 0.1461
Loa Loa (eye worm) hypothetical protein 0.0031 0.1502 0.217
Brugia malayi steroid hormone receptor 0.0012 0.0339 0.049
Plasmodium vivax glutathione reductase, putative 0.0046 0.2434 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.008 0.008
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.1011 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.1502 0.1502
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0339 0.049
Toxoplasma gondii thioredoxin reductase 0.0046 0.2434 1
Brugia malayi glutathione reductase 0.0046 0.2434 0.3517
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.6818 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0339 0.049
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.6091 0.8934
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1011 0.4153
Loa Loa (eye worm) Smad1 0.0008 0.008 0.0116
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.6091 0.8934
Mycobacterium ulcerans hypothetical protein 0.0023 0.1011 1
Entamoeba histolytica hypothetical protein 0.007 0.3964 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0569 0.5627
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0569 0.0834
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0339 0.0339
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2434 0.357
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0339 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0339 0.049
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0569 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0339 0.049
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0569 0.4417
Onchocerca volvulus 0.0023 0.1011 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0339 0.0339
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0569 0.2337
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0569 0.2337
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0339 0.049
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.1011 0.1483
Echinococcus multilocularis flap endonuclease 1 0.0027 0.1288 0.1288
Brugia malayi nuclear receptor NHR-88 0.0012 0.0339 0.049
Loa Loa (eye worm) hypothetical protein 0.0017 0.0649 0.0938
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.008 0.008
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.008 0.008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1502 0.1502
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0339 0.049
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.1011 0.1483
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2434 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.008 0.008
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0569 0.0569
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.1288 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.1011 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0339 0.049
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.3964 0.3964
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0569 0.2337
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.1011 0.2551
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.1011 0.1483
Brugia malayi MH1 domain containing protein 0.0008 0.008 0.0116
Plasmodium falciparum thioredoxin reductase 0.0046 0.2434 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0339 0.0339
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0339 0.049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1502 0.217
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5393 0.5393
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5393 0.5393
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0339 0.0339
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.1288 0.5291
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0339 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0339 0.049
Brugia malayi MH1 domain containing protein 0.0008 0.008 0.0116
Loa Loa (eye worm) hypothetical protein 0.0023 0.1011 0.1461
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.6091 0.8934
Entamoeba histolytica hypothetical protein 0.007 0.3964 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.6091 0.8934
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0569 0.2337
Brugia malayi ecdysteroid receptor 0.0012 0.0339 0.049
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0339 0.0339
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.6818 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.1011 0.2551
Echinococcus multilocularis smad 0.0008 0.008 0.008
Brugia malayi Flap endonuclease-1 0.0027 0.1288 0.1861
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0339 0.049
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0339 0.0339
Brugia malayi Thioredoxin reductase 0.0046 0.2434 0.3517
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2434 0.2434
Brugia malayi MH2 domain containing protein 0.0008 0.008 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0649 0.0938
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1011 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0339 0.049
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0339 0.0339
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0569 0.2337
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0339 0.049
Entamoeba histolytica hypothetical protein 0.007 0.3964 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.6091 0.8934
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0339 0.0339
Loa Loa (eye worm) glutathione reductase 0.0046 0.2434 0.3517
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0591 0.0867
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.3964 0.3964
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0569 0.2337
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.5655 0.817
Schistosoma mansoni hypothetical protein 0.007 0.3964 0.3964
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.6818 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0339 0.0339
Echinococcus granulosus Smad4 0.0008 0.008 0.008
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0649 0.2667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0339 0.049
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.1288 0.5291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0339 0.049
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0569 0.5627
Schistosoma mansoni hypothetical protein 0.0031 0.1502 0.1502
Schistosoma mansoni flap endonuclease-1 0.0025 0.1124 0.1124
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1502 0.217
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.1288 0.5291
Schistosoma mansoni transcription factor LCR-F1 0.007 0.3964 0.3964
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0569 0.2337
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0591 0.0867
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0569 0.5627
Plasmodium falciparum thioredoxin reductase 0.0016 0.0569 0.2337
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0339 0.3351
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2434 0.3517
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0339 0.0339
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0339 0.049
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0339 0.0339
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.5655 0.817
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1502 0.1502
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.1011 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.1011 0.4153
Schistosoma mansoni smad1 5 8 and 0.0008 0.008 0.008
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0339 0.049
Schistosoma mansoni hypothetical protein 0.0031 0.1502 0.1502
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0569 0.2337
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0339 0.049
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0339 0.049
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.6921 1
Plasmodium falciparum glutathione reductase 0.0016 0.0569 0.2337
Echinococcus granulosus flap endonuclease 1 0.0027 0.1288 0.1288
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1011 0.1461
Brugia malayi nuclear hormone receptor 0.0012 0.0339 0.049
Plasmodium falciparum flap endonuclease 1 0.0027 0.1288 0.5291
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0339 0.3351
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.008 0.0116
Brugia malayi AMP-binding enzyme family protein 0.0023 0.1011 0.1461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.5393 0.7792
Onchocerca volvulus 0.0012 0.0339 0.3351
Loa Loa (eye worm) hypothetical protein 0.0017 0.0649 0.0938
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0306 0.0443
Entamoeba histolytica hypothetical protein 0.007 0.3964 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0649 0.6421
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Brugia malayi Smad1 0.0008 0.008 0.0116
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0339 0.0339
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0569 0.5
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0306 0.0443
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0649 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0569 0.0569
Schistosoma mansoni Smad4 0.0008 0.008 0.008
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0569 0.2337
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0569 0.2337
Schistosoma mansoni hypothetical protein 0.0031 0.1502 0.1502
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0339 0.0339
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.1288 0.1861
Schistosoma mansoni hypothetical protein 0.0031 0.1502 0.1502
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0649 0.0952
Loa Loa (eye worm) hypothetical protein 0.0012 0.0339 0.049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0591 0.0867
Loa Loa (eye worm) hypothetical protein 0.0067 0.3733 0.5393
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0339 0.0339
Brugia malayi hypothetical protein 0.007 0.3964 0.5727
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0569 0.2337
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0569 0.4417
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0339 0.0339
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.5393 0.7792
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0339 0.0339
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.008 0.008
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0339 0.3351
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0339 0.049
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2434 0.2434
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.1011 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0569 0.0822
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0591 0.0867
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0569 0.2337
Echinococcus multilocularis Smad4 0.0008 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0017 0.0649 0.0938
Brugia malayi MH2 domain containing protein 0.0118 0.6921 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0649 0.0938
Schistosoma mansoni smad 0.0008 0.008 0.008
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0339 0.049
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0569 0.0569
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.008 0.008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.5393 0.5393
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0339 0.049
Echinococcus granulosus smad 0.0008 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0067 0.3733 0.3733

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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 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) 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

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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