Detailed information for compound 1486457

Basic information

Technical information
  • TDR Targets ID: 1486457
  • Name: 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carb oxylic acid
  • MW: 268.191 | Formula: C12H7F3N2O2
  • H donors: 1 H acceptors: 4 LogP: 2.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cnc(nc1C(F)(F)F)c1ccccc1
  • InChi: 1S/C12H7F3N2O2/c13-12(14,15)9-8(11(18)19)6-16-10(17-9)7-4-2-1-3-5-7/h1-6H,(H,18,19)
  • InChiKey: ANRSNMBBSUTAEN-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid
  • SMR000338456
  • 5W-1087
  • MLS000736206

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi RNA 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 TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus 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
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461

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
Onchocerca volvulus 0.0905 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Brugia malayi Muscleblind-like protein 0.0317 0.3409 0.3409
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0074 0.0677 0.0448
Echinococcus granulosus muscleblind protein 0.0317 0.3409 0.3409
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0626 0.6874 0.6874
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Entamoeba histolytica aldose reductase, putative 0.0905 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.279 0.279
Trichomonas vaginalis aldo/keto reductase, putative 0.0905 1 1
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0128 0.1282 0.1282
Plasmodium falciparum aldehyde reductase, putative 0.0262 0.279 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0074 0.0677 0.0677
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Toxoplasma gondii aldose reductase, putative 0.0905 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0074 0.0677 0.0677
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0041 0.0041
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0035 0.024 0.024
Brugia malayi nuclear hormone receptor 0.0074 0.0677 0.0677
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0262 0.279 0.279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0074 0.0677 0.0677
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0366 0.0366
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0677 0.0677
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0323 0.1158
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0366 0.1312
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0287 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0317 0.3409 0.3409
Loa Loa (eye worm) nuclear receptor NHR-67 0.0035 0.024 0.024
Giardia lamblia Aldose reductase 0.0905 1 1
Leishmania major prostaglandin f synthase, putative 0.0905 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0677 0.0677
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0287
Echinococcus granulosus aldo keto reductase 0.0905 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0708 0.0708
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Echinococcus multilocularis aldo keto reductase 0.0905 1 1
Brugia malayi hypothetical protein 0.0039 0.0287 0.0287
Brugia malayi nuclear hormone receptor family member odr-7 0.0035 0.024 0.024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0041 0.0041
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0074 0.0677 0.0677
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0366 0.0366
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.279 0.279
Schistosoma mansoni nuclear receptor nhr-48 0.0035 0.024 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0677 0.0677
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0128 0.1282 0.1282
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0677 0.0677
Brugia malayi conserved hypotetical protein 0.0035 0.024 0.024
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0708 0.0708
Echinococcus granulosus hypothetical protein 0.0905 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0041 0.0041
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Loa Loa (eye worm) glutaminase 2 0.033 0.3552 0.3552
Brugia malayi Nuclear hormone receptor-like 1 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor E75 0.0035 0.024 0.024
Schistosoma mansoni nuclear receptor 0.0035 0.024 0.024
Trypanosoma brucei aldo-keto reductase, putative 0.0905 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0074 0.0677 0.0677
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Loa Loa (eye worm) oxidoreductase 0.0905 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0074 0.0677 0.0677
Echinococcus multilocularis thyroid hormone receptor alpha 0.0074 0.0677 0.0677
Echinococcus multilocularis aldo keto reductase 0.0905 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0128 0.1282 0.1282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0074 0.0677 0.0677
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0074 0.0677 0.0677
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0262 0.279 0.279
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0708 0.0708
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0366 0.0366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0385 0.0385
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0287
Brugia malayi TAR-binding protein 0.0076 0.0708 0.0708
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0035 0.024 0.024
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0074 0.0677 0.0677
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0287 0.0287
Schistosoma mansoni potassium channel beta 0.0262 0.279 0.279
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0035 0.024 0.024
Brugia malayi NADH-dependent xylose reductase 0.0262 0.279 0.279
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0128 0.1282 0.1282
Loa Loa (eye worm) hypothetical protein 0.0037 0.0263 0.0263
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Loa Loa (eye worm) oxidoreductase 0.0905 1 1
Echinococcus granulosus GPCR family 2 0.0017 0.0041 0.0041
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0905 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0074 0.0677 0.0448
Loa Loa (eye worm) acetyltransferase 0.0157 0.1606 0.1606
Schistosoma mansoni thyroid hormone receptor 0.0074 0.0677 0.0677
Mycobacterium ulcerans glutaminase 0.033 0.3552 0.1057
Loa Loa (eye worm) glutaminase 0.033 0.3552 0.3552
Toxoplasma gondii aldo-keto reductase 0.0262 0.279 0.279
Onchocerca volvulus 0.0905 1 1
Echinococcus multilocularis muscleblind protein 1 0.0317 0.3409 0.3409
Brugia malayi ecdysteroid receptor 0.0074 0.0677 0.0677
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0454 0.0454
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.024 0.024
Trichomonas vaginalis glutaminase, putative 0.033 0.3552 0.3552
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0074 0.0677 0.0677
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0041 0.0041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0317 0.3409 0.3409
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0905 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0035 0.024 0.024
Schistosoma mansoni nuclear hormone receptor 0.0035 0.024 0.024
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0074 0.0677 0.0677
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0385 0.0385
Brugia malayi nuclear hormone receptor family member nhr-6 0.0035 0.024 0.024
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.024 0.024
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0905 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0035 0.024 0.024
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0905 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0287
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0262 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0905 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.0708 0.0708
Brugia malayi nuclear receptor NHR-88 0.0035 0.024 0.024
Echinococcus multilocularis aldo keto reductase 0.0905 1 1
Onchocerca volvulus 0.0905 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0074 0.0677 0.0677
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0262 0.279 0.279
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0905 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0262 0.279 0.279
Loa Loa (eye worm) DR-78 0.0035 0.024 0.024
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0074 0.0677 0.0677
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0041 0.0041
Leishmania major aldo-keto reductase-like protein 0.0905 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0262 0.279 0.279
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0128 0.1282 0.1282
Onchocerca volvulus 0.0262 0.279 0.2613
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0074 0.0677 0.0677
Onchocerca volvulus 0.0074 0.0677 0.0448
Echinococcus granulosus nuclear receptor nhr 48 0.0035 0.024 0.024
Mycobacterium ulcerans oxidoreductase 0.0905 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0287 0.0287
Brugia malayi nuclear receptor RXR 0.0035 0.024 0.024
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0454 0.0454
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0074 0.0677 0.0677
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.024 0.024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0385 0.0385
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0035 0.024 0.024
Brugia malayi glutaminase DH11.1 0.033 0.3552 0.3552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0385 0.0385
Trichomonas vaginalis aldo/keto reductase, putative 0.0905 1 1
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0041
Onchocerca volvulus 0.0905 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0263 0.0263
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0708 0.0708
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0074 0.0677 0.0677
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.024 0.024
Trypanosoma cruzi aldo-keto reductase 0.0905 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0708 0.0708
Schistosoma mansoni glutaminase 0.033 0.3552 0.3552
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0677 0.0677
Schistosoma mansoni nuclear hormone receptor 0.0074 0.0677 0.0677
Loa Loa (eye worm) oxidoreductase 0.0905 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0074 0.0677 0.0677
Schistosoma mansoni steroid hormone receptor ad4bp 0.0074 0.0677 0.0677
Brugia malayi nuclear hormone receptor 0.0035 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0385 0.0385
Brugia malayi orphan nuclear receptor NR2E1 0.0035 0.024 0.024
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0708 0.0708
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0287 0.0287
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0074 0.0677 0.0677
Trichomonas vaginalis aldo/keto reductase, putative 0.0905 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0074 0.0677 0.0677
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0905 1 1
Brugia malayi RNA binding protein 0.0076 0.0708 0.0708
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0074 0.0677 0.0677
Echinococcus granulosus aldo keto reductase 0.0905 1 1
Schistosoma mansoni aldo-keto reductase 0.0905 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0287 0.0287
Brugia malayi hypothetical protein 0.0035 0.024 0.024
Schistosoma mansoni zinc finger protein 0.0035 0.024 0.024
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Brugia malayi Nuclear hormone receptor E75 0.0035 0.024 0.024
Loa Loa (eye worm) oxidoreductase 0.0905 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0074 0.0677 0.0677
Brugia malayi hypothetical protein 0.0035 0.024 0.024
Entamoeba histolytica alcohol dehydrogenase, putative 0.0262 0.279 0.279
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0905 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0262 0.279 0.279
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0074 0.0677 0.0677
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0287 0.0287
Onchocerca volvulus 0.0905 1 1
Brugia malayi nuclear receptor NHR-67 0.0035 0.024 0.024
Echinococcus granulosus voltage gated potassium channel subunit 0.0262 0.279 0.279
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Echinococcus granulosus aldo keto reductase 0.0905 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Brugia malayi nuclear receptor NHR-88 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Brugia malayi nuclear receptor RXR 0.0039 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0054 0.0454 0.0454
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0905 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0128 0.1282 0.1282
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0128 0.1282 0.1282
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Trypanosoma brucei prostaglandin f synthase 0.0905 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0262 0.279 0.279
Echinococcus multilocularis ecdysone induced protein 78C 0.0074 0.0677 0.0677
Schistosoma mansoni nuclear receptor 0.0035 0.024 0.024
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0708 0.0708
Mycobacterium tuberculosis Probable oxidoreductase 0.0905 1 1
Onchocerca volvulus 0.0905 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0262 0.279 1
Schistosoma mansoni coup transcription factor 0.0074 0.0677 0.0677
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0041
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0074 0.0677 0.0677
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0905 1 1
Echinococcus multilocularis muscleblind protein 0.0317 0.3409 0.3409
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0074 0.0677 0.0677
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0041
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0157 0.1606 0.1606
Loa Loa (eye worm) hypothetical protein 0.0074 0.0677 0.0677
Onchocerca volvulus Protein ultraspiracle homolog 0.0074 0.0677 0.0448
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0905 1 1
Echinococcus multilocularis aldo keto reductase 0.0905 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0074 0.0677 0.0677
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0035 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0287
Plasmodium vivax aldehyde reductase, putative 0.0262 0.279 1
Schistosoma mansoni aldo-keto reductase 0.0905 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0385 0.0385
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0074 0.0677 0.0677
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0074 0.0677 0.0677
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0708 0.0708
Loa Loa (eye worm) oxidoreductase 0.0905 1 1
Schistosoma mansoni nuclear hormone receptor 0.0035 0.024 0.024
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0041 0.0041
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0074 0.0677 0.0677
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0323 0.0323
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0385 0.0385
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0385 0.0385
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.0677 0.0677
Loa Loa (eye worm) steroid hormone receptor 0.0074 0.0677 0.0677
Brugia malayi photoreceptor-specific nuclear receptor 0.0074 0.0677 0.0677
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0035 0.024 0.024
Echinococcus granulosus FTZ F1 alpha 0.0074 0.0677 0.0677
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.0041
Brugia malayi steroid hormone receptor 0.0074 0.0677 0.0677
Brugia malayi tailless protein 0.0035 0.024 0.024
Trichomonas vaginalis aldo-keto reductase, putative 0.0262 0.279 0.279
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0074 0.0677 0.0677
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0074 0.0677 0.0677
Brugia malayi hypothetical protein 0.0039 0.0287 0.0287
Trypanosoma cruzi aldo/keto reductase, putative 0.0262 0.279 0.279
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0263 0.0263
Schistosoma mansoni hypothetical protein 0.0017 0.0041 0.0041
Echinococcus multilocularis nuclear receptor nhr 48 0.0035 0.024 0.024
Echinococcus granulosus histone acetyltransferase KAT2B 0.0152 0.1557 0.1557
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0157 0.1606 0.1606
Giardia lamblia Aldose reductase 0.0905 1 1
Echinococcus granulosus aldehyde reductase 0.0643 0.706 0.706
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0262 0.279 0.279
Entamoeba histolytica aldose reductase, putative 0.0905 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0385 0.0385
Trypanosoma brucei aldo/keto reductase, putative 0.0262 0.279 0.279
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Loa Loa (eye worm) hypothetical protein 0.0905 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Brugia malayi acetyltransferase, GNAT family protein 0.0157 0.1606 0.1606
Entamoeba histolytica aldose reductase, putative 0.0905 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0905 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Entamoeba histolytica dual specificity protein phosphatase, putative 0.0626 0.6874 0.6874
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0708 0.0708
Loa Loa (eye worm) hypothetical protein 0.0039 0.0287 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0074 0.0677 0.0677
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0287 0.0287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0041 0.0041
Plasmodium falciparum aldo-keto reductase, putative 0.0262 0.279 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0905 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0035 0.024 0.024
Echinococcus multilocularis voltage gated potassium channel subunit 0.0262 0.279 0.279
Echinococcus multilocularis GPCR, family 2 0.0017 0.0041 0.0041
Brugia malayi Steroid receptor seven-up type 2 0.0074 0.0677 0.0677
Echinococcus multilocularis aldehyde reductase 0.0643 0.706 0.706
Schistosoma mansoni pol-related 0.0905 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Mycobacterium leprae Conserved hypothetical protein 0.0643 0.706 0.5922
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0035 0.024 0.024
Brugia malayi ecdysone receptor 0.0035 0.024 0.024

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) 0.3162 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 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
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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