Detailed information for compound 333733

Basic information

Technical information
  • TDR Targets ID: 333733
  • Name: tert-butyl (E)-3-[4-[[N-(benzylcarbamoyl)-3-[ (E)-3-methoxy-3-oxoprop-1-enyl]anilino]methyl ]phenyl]prop-2-enoate
  • MW: 526.623 | Formula: C32H34N2O5
  • H donors: 1 H acceptors: 3 LogP: 5.64 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)/C=C/c1cccc(c1)N(C(=O)NCc1ccccc1)Cc1ccc(cc1)/C=C/C(=O)OC(C)(C)C
  • InChi: 1S/C32H34N2O5/c1-32(2,3)39-30(36)20-17-24-13-15-27(16-14-24)23-34(31(37)33-22-26-9-6-5-7-10-26)28-12-8-11-25(21-28)18-19-29(35)38-4/h5-21H,22-23H2,1-4H3,(H,33,37)/b19-18+,20-17+
  • InChiKey: DVABODNQDLCUDU-LKRWSQIDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • tert-butyl (E)-3-[4-[[N-(benzylcarbamoyl)-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]anilino]methyl]phenyl]prop-2-enoate
  • (E)-3-[4-[[N-[(benzylamino)-oxomethyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methyl]phenyl]-2-propenoic acid tert-butyl ester
  • tert-butyl (E)-3-[4-[[[3-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]-(phenylmethylcarbamoyl)amino]methyl]phenyl]prop-2-enoate
  • (E)-3-[4-[[N-(benzylcarbamoyl)-3-[(E)-3-keto-3-methoxy-prop-1-enyl]anilino]methyl]phenyl]acrylic acid tert-butyl ester
  • tert-butyl (E)-3-[4-[[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-(phenylmethylcarbamoyl)amino]methyl]phenyl]prop-2-enoate
  • (E)-3-[4-[[[3-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-[oxo-(phenylmethylamino)methyl]amino]methyl]phenyl]prop-2-enoic acid tert-butyl ester
  • (E)-3-[4-[[benzylcarbamoyl-[3-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]amino]methyl]phenyl]acrylic acid tert-butyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C nuclear receptor subfamily 1, group H, member 4 476 aa 402 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0029 0.0248 0.0083
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Echinococcus multilocularis aldo keto reductase 0.0033 0.032 0.0434
Loa Loa (eye worm) hypothetical protein 0.0026 0.0193 0.0242
Leishmania major protein kinase, putative 0.005 0.0635 1
Entamoeba histolytica hypothetical protein 0.0038 0.042 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0381 0.68 1
Brugia malayi heat shock protein 90 0.0036 0.0385 0.0308
Trypanosoma cruzi heat shock protein 90, putative 0.0036 0.0385 0.5238
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0635 0.0764
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0029 0.0248 0.0083
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Trypanosoma cruzi aldo/keto reductase, putative 0.0033 0.032 0.4002
Leishmania major protein kinase, putative 0.005 0.0635 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0199 0.3403 0.4622
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0033 0.032 0.0264
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0033 0.032 0.0292
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.005 0.0635 0.0764
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0026 0.0193 0.0262
Trypanosoma brucei aldo-keto reductase, putative 0.0033 0.032 0.6613
Echinococcus granulosus single minded 2 0.0141 0.2339 0.3171
Schistosoma mansoni endoplasmin 0.0036 0.0385 0.0385
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.005 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.7344 1
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0248 0.0184
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0033 0.032 0.2869
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Echinococcus multilocularis aldo keto reductase 0.0033 0.032 0.0434
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0051 0.0666 0.0903
Giardia lamblia Aldose reductase 0.0033 0.032 0.5253
Brugia malayi Immunoglobulin I-set domain containing protein 0.0199 0.3403 0.5153
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Leishmania major aldo-keto reductase-like protein 0.0033 0.032 0.2869
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0381 0.68 1
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Entamoeba histolytica hypothetical protein 0.0038 0.042 1
Entamoeba histolytica hypothetical protein 0.0038 0.042 1
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0635 0.0764
Echinococcus granulosus aldo keto reductase 0.0033 0.032 0.0434
Echinococcus multilocularis endoplasmin 0.0029 0.0248 0.0337
Schistosoma mansoni aldo-keto reductase 0.0033 0.032 0.032
Loa Loa (eye worm) oxidoreductase 0.0033 0.032 0.0415
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0248 0.2635
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0248 0.2635
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Echinococcus granulosus endoplasmin 0.0029 0.0248 0.0337
Schistosoma mansoni endoplasmin 0.0036 0.0385 0.0385
Echinococcus multilocularis aldo keto reductase 0.0033 0.032 0.0434
Schistosoma mansoni single-minded 0.0191 0.326 0.326
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0381 0.68 1
Echinococcus multilocularis transfer RNA-Lys 0.0141 0.2339 0.3171
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Onchocerca volvulus 0.0143 0.2369 0.3043
Onchocerca volvulus 0.0411 0.7344 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Echinococcus multilocularis roundabout 2 0.0019 0.0074 0.0101
Loa Loa (eye worm) oxidoreductase 0.0033 0.032 0.0415
Trichomonas vaginalis aldo/keto reductase, putative 0.0033 0.032 0.0292
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.042 0.0569
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.005 0.0635 0.0764
Trypanosoma cruzi Heat shock protein 83, putative 0.0036 0.0385 0.5238
Trichomonas vaginalis guanylate cyclase, putative 0.005 0.0635 0.0764
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.005 0.0635 1
Loa Loa (eye worm) hypothetical protein 0.0361 0.6422 0.8742
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0635 0.0764
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Toxoplasma gondii aldose reductase, putative 0.0033 0.032 0.0192
Plasmodium vivax heat shock protein 86, putative 0.0036 0.0385 0.029
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Brugia malayi PAS domain containing protein 0.0191 0.326 0.4924
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Onchocerca volvulus 0.0033 0.032 0.0177
Loa Loa (eye worm) oxidoreductase 0.0033 0.032 0.0415
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.0385 0.5238
Mycobacterium ulcerans putative regulatory protein 0.0141 0.2339 0.3247
Trypanosoma brucei heat shock protein 90, putative 0.0036 0.0385 1
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Brugia malayi Endoplasmin precursor 0.0036 0.0385 0.0308
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Trichomonas vaginalis heat shock protein, putative 0.0036 0.0385 0.0389
Entamoeba histolytica heat shock protein 90, putative 0.0036 0.0385 0.847
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0381 0.68 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0029 0.0248 0.1243
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0361 0.6422 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.008
Schistosoma mansoni aldo-keto reductase 0.0033 0.032 0.032
Schistosoma mansoni pol-related 0.0033 0.032 0.032
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0026 0.0193 0.0262
Treponema pallidum heat shock protein 90 0.0029 0.0248 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0381 0.68 1
Trichomonas vaginalis guanylate cyclase, putative 0.005 0.0635 0.0764
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Echinococcus multilocularis aryl hydrocarbon receptor 0.0412 0.7375 1
Mycobacterium ulcerans heat shock protein 90 0.0029 0.0248 0.0083
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0033 0.032 0.0204
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Echinococcus granulosus aldo keto reductase 0.0033 0.032 0.0434
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Onchocerca volvulus 0.0182 0.31 0.4065
Brugia malayi hypothetical protein 0.005 0.0635 0.0709
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Loa Loa (eye worm) hypothetical protein 0.0033 0.032 0.0415
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0033 0.032 0.0204
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.005 0.0635 0.0764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Loa Loa (eye worm) endoplasmin 0.0036 0.0385 0.0503
Toxoplasma gondii heat shock protein HSP90 0.0036 0.0385 0.029
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0033 0.032 0.0204
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0381 0.68 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Entamoeba histolytica aldose reductase, putative 0.0033 0.032 0.5601
Schistosoma mansoni cell adhesion molecule 0.0016 0.0016 0.0016
Trichomonas vaginalis adenylate cyclase, putative 0.005 0.0635 0.0764
Trypanosoma brucei heat shock protein 90, putative 0.0036 0.0385 1
Trypanosoma brucei Heat shock protein 83, putative 0.0036 0.0385 1
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0026 0.0193 0.0074
Trichomonas vaginalis aldo/keto reductase, putative 0.0033 0.032 0.0292
Mycobacterium leprae Possible regulatory protein 0.005 0.0635 0.0737
Echinococcus granulosus heat shock protein 90 0.0029 0.0248 0.0337
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Plasmodium falciparum enoyl-acyl carrier reductase 0.0381 0.68 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0412 0.7375 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0057 0.0772 0.0876
Giardia lamblia Heat shock protein HSP 90-alpha 0.0036 0.0385 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.005 0.0635 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0193 0.1589
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.005 0.0635 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0026 0.0193 0.1589
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Schistosoma mansoni heat shock protein 0.0036 0.0385 0.0385
Plasmodium falciparum heat shock protein 90 0.0036 0.0385 0.0389
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0033 0.032 0.0292
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Echinococcus multilocularis heat shock protein 0.0036 0.0385 0.0522
Echinococcus granulosus roundabout 2 0.0019 0.0074 0.0101
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0026 0.0193 0.0074
Entamoeba histolytica aldose reductase, putative 0.0033 0.032 0.5601
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.005 0.0635 0.0764
Trypanosoma brucei prostaglandin f synthase 0.0033 0.032 0.6613
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0033 0.032 0.0204
Loa Loa (eye worm) retinol dehydrogenase 12 0.0026 0.0193 0.0242
Plasmodium vivax endoplasmin, putative 0.0036 0.0385 0.029
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0026 0.0193 0.0242
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0033 0.032 0.0292
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Echinococcus granulosus aldo keto reductase 0.0033 0.032 0.0434
Schistosoma mansoni dihydropteridine reductase 0.0026 0.0193 0.0193
Trypanosoma cruzi aldo-keto reductase 0.0033 0.032 0.4002
Echinococcus granulosus aldehyde reductase 0.0023 0.0144 0.0196
Mycobacterium tuberculosis Probable oxidoreductase 0.0033 0.032 0.0192
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Onchocerca volvulus 0.0033 0.032 0.0177
Loa Loa (eye worm) oxidoreductase 0.0033 0.032 0.0415
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0051 0.0666 0.0903
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Entamoeba histolytica aldose reductase, putative 0.0033 0.032 0.5601
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Loa Loa (eye worm) oxidoreductase 0.0026 0.0193 0.0242
Trichomonas vaginalis hypothetical protein 0.0381 0.68 1
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.0385 0.5238
Brugia malayi bHLH-PAS transcription factor 0.0141 0.2339 0.3444
Echinococcus multilocularis heat shock protein 90 0.0029 0.0248 0.0337
Giardia lamblia Aldose reductase 0.0033 0.032 0.5253
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0381 0.68 1
Echinococcus multilocularis aldehyde reductase 0.0023 0.0144 0.0196
Onchocerca volvulus 0.0033 0.032 0.0177
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0026 0.0193 0.1589
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0033 0.032 0.0434
Mycobacterium ulcerans oxidoreductase 0.0033 0.032 0.0192
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.005 0.0635 0.0764
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Entamoeba histolytica heat shock protein 90, putative 0.0036 0.0385 0.847
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0029 0.0248 0.0156
Leishmania major prostaglandin f synthase, putative 0.0033 0.032 0.2869
Brugia malayi hypothetical protein 0.0038 0.042 0.0363
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Loa Loa (eye worm) hypothetical protein 0.005 0.0635 0.0845
Loa Loa (eye worm) oxidoreductase 0.0033 0.032 0.0415
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Onchocerca volvulus Tyrosine kinase homolog 0.0185 0.3158 0.4146
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Onchocerca volvulus 0.0033 0.032 0.0177
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0248 0.0337
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.0385 0.5238
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.005 0.0635 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.042 0.0569
Onchocerca volvulus 0.0033 0.032 0.0177
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0026 0.0193 0.0193
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Entamoeba histolytica hypothetical protein 0.0038 0.042 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0033 0.032 0.0434
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0026 0.0193 0.0102
Echinococcus multilocularis heat shock protein 90 0.0036 0.0385 0.0522
Echinococcus granulosus heat shock protein 90 0.0036 0.0385 0.0522
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.042 0.042
Loa Loa (eye worm) hypothetical protein 0.0363 0.6453 0.8784
Schistosoma mansoni heat shock protein 0.0036 0.0385 0.0385
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0248 0.0184
Trichomonas vaginalis aldo/keto reductase, putative 0.0033 0.032 0.0292
Loa Loa (eye worm) heat shock protein 90 0.0036 0.0385 0.0503
Schistosoma mansoni hypothetical protein 0.0038 0.042 0.042
Leishmania major heat shock protein 83-1 0.0036 0.0385 0.4338
Toxoplasma gondii heat shock protein 90, putative 0.0036 0.0385 0.029
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0016 0.0016 0.0022
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0033 0.032 0.2869
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0051 0.0666 0.0887
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.005 0.0635 1
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0248 0.0184
Echinococcus granulosus hypothetical protein 0.0033 0.032 0.0434
Echinococcus granulosus heat shock protein 0.0036 0.0385 0.0522
Onchocerca volvulus 0.0033 0.032 0.0177
Echinococcus multilocularis aldo keto reductase 0.0033 0.032 0.0434
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.008
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.005 0.0635 1
Trypanosoma brucei heat shock protein, putative 0.0036 0.0385 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0033 0.032 0.0292

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 1 uM Effective concentration against farnesoid X receptor (FXR) ChEMBL. 15893927
EC50 (binding) > 1 uM Effective concentration against farnesoid X receptor (FXR) ChEMBL. 15893927

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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