Detailed information for compound 162107

Basic information

Technical information
  • TDR Targets ID: 162107
  • Name: 4-[2-[[(E)-3-(1-pentylindol-5-yl)but-2-enoyl] amino]phenoxy]butanoic acid
  • MW: 448.554 | Formula: C27H32N2O4
  • H donors: 2 H acceptors: 3 LogP: 5.44 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCn1ccc2c1ccc(c2)/C(=C/C(=O)Nc1ccccc1OCCCC(=O)O)/C
  • InChi: 1S/C27H32N2O4/c1-3-4-7-15-29-16-14-22-19-21(12-13-24(22)29)20(2)18-26(30)28-23-9-5-6-10-25(23)33-17-8-11-27(31)32/h5-6,9-10,12-14,16,18-19H,3-4,7-8,11,15,17H2,1-2H3,(H,28,30)(H,31,32)/b20-18+
  • InChiKey: BTFBFGVGTPPUKN-CZIZESTLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-[[(E)-1-oxo-3-(1-pentyl-5-indolyl)but-2-enyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-(1-amylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Steroid 5-alpha-reductase 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
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 329 aa 23.1 %
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Steroid 5-alpha-reductase   254 aa 283 aa 29.7 %
Trichomonas vaginalis conserved hypothetical protein Steroid 5-alpha-reductase   254 aa 238 aa 25.6 %
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 435 aa 22.3 %
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Steroid 5-alpha-reductase   254 aa 283 aa 29.7 %
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 284 aa 33.1 %
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 211 aa 29.9 %
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 249 aa 34.9 %
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 226 aa 36.7 %
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 284 aa 32.7 %
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 334 aa 25.1 %
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Steroid 5-alpha-reductase   254 aa 255 aa 36.1 %
Loa Loa (eye worm) hypothetical protein Steroid 5-alpha-reductase   254 aa 218 aa 45.9 %
Trichomonas vaginalis conserved hypothetical protein Steroid 5-alpha-reductase   254 aa 239 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0029 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0028 0.0257 0.0257
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.055 0.1634
Brugia malayi ecdysteroid receptor 0.0514 0.598 0.598
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0256 0.0689
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0042 0.0414 0.0414
Schistosoma mansoni nuclear hormone receptor 0.002 0.0155 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0042 0.0414 0.0414
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0268 0.0724
Echinococcus granulosus importin subunit beta 1 0.0028 0.0257 0.0692
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0159 0.0678
Schistosoma mansoni importin beta-1 0.0028 0.0257 0.0257
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0194 0.101
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0102 0.1129 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0155 0.0419
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0042 0.0414 0.0444
Onchocerca volvulus 0.0042 0.0414 0.0444
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.055 0.1634
Brugia malayi nuclear hormone receptor 0.002 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0053 0.055 0.055
Plasmodium falciparum polyprenol reductase, putative 0.0053 0.055 0.4147
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0139 0.0486
Loa Loa (eye worm) calpain family protein 1 0.0053 0.0547 0.0547
Brugia malayi calpain 5 0.0014 0.0089 0.0089
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.073
Toxoplasma gondii leucyl aminopeptidase LAP 0.0102 0.1129 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0414 0.0414
Brugia malayi RNA, U transporter 1 0.008 0.0869 0.0869
Echinococcus multilocularis hypothetical protein 0.002 0.0159 0.0429
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0042 0.0414 0.0414
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0169 0.03
Brugia malayi nuclear hormone receptor family member nhr-6 0.002 0.0155 0.0155
Onchocerca volvulus 0.0029 0.0268 0.0194
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0159 0.0678
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0042 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0042 0.0414 0.0414
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.002 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0042 0.0414 0.0414
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.1634
Trypanosoma brucei calpain-like protein, putative 0.002 0.0159 0.1294
Echinococcus granulosus transient receptor potential cation channel 0.0321 0.3708 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0022 0.0183 0.0493
Mycobacterium ulcerans hypothetical protein 0.0053 0.055 0.4147
Echinococcus granulosus snurportin 1 0.0301 0.3469 0.9356
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0159 0.0678
Loa Loa (eye worm) calpain 0.002 0.0159 0.0159
Entamoeba histolytica hypothetical protein 0.0023 0.0194 0.2279
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0022 0.0183 0.0183
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4431
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0268 0.1304
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.3469 0.3469
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0102 0.1129 1
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0102 0.1129 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0312 0.0312
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0159 0.0429
Schistosoma mansoni retinoic acid receptor RXR 0.0177 0.2004 0.2004
Schistosoma mansoni nuclear receptor 0.002 0.0155 0.0155
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0155 0.0419
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0183 0.0183
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0042 0.0414 0.0414
Schistosoma mansoni serine/threonine protein kinase 0.0855 1 1
Brugia malayi conserved hypotetical protein 0.002 0.0155 0.0155
Echinococcus multilocularis leucyl aminopeptidase 0.002 0.0165 0.0444
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0159 0.0159
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0042 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0194 0.0217
Schistosoma mansoni leucine aminopeptidase 0.002 0.0165 0.0165
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0042 0.0414 0.1116
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Brugia malayi nuclear receptor NHR-88 0.0042 0.0414 0.0414
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0139 0.0375
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0169 0.0456
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0155 0.0419
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0177 0.2004 0.5405
Brugia malayi hypothetical protein 0.0022 0.0183 0.0183
Echinococcus granulosus ecdysone induced protein 78C 0.0042 0.0414 0.1116
Schistosoma mansoni thyroid hormone receptor 0.0042 0.0414 0.0414
Plasmodium falciparum M17 leucyl aminopeptidase 0.0102 0.1129 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0042 0.0414 0.1116
Echinococcus multilocularis synaptic glycoprotein sc2 0.0053 0.055 0.1483
Trypanosoma brucei calpain-like protein, putative 0.002 0.0159 0.1294
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.1634
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0042 0.0414 0.1116
Echinococcus granulosus calpain 7 C02 family 0.002 0.0159 0.0429
Brugia malayi Pre-SET motif family protein 0.0029 0.0268 0.0268
Schistosoma mansoni coup transcription factor 0.0042 0.0414 0.0414
Brugia malayi cytosol aminopeptidase 0.002 0.0165 0.0165
Plasmodium falciparum importin beta, putative 0.0028 0.0257 0.1185
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0102 0.1129 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0257 0.2168
Leishmania major importin beta-1 subunit, putative 0.0023 0.0194 0.101
Mycobacterium ulcerans leucyl aminopeptidase 0.0102 0.1129 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.002 0.0165 0.0165
Trypanosoma brucei aminopeptidase, putative 0.002 0.0165 0.1342
Brugia malayi orphan nuclear receptor NR2E1 0.002 0.0155 0.0155
Loa Loa (eye worm) nuclear receptor NHR-67 0.002 0.0155 0.0155
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0194 0.0217
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0315 0.3632 0.3632
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.1634
Entamoeba histolytica hypothetical protein 0.0053 0.055 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0169 0.0723
Loa Loa (eye worm) hypothetical protein 0.0039 0.0383 0.0383
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4431
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0139 0.1096
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0042 0.0414 0.0414
Brugia malayi nuclear receptor RXR 0.002 0.0155 0.0155
Entamoeba histolytica protein kinase, putative 0.0016 0.0116 0.0602
Leishmania major GTP-binding protein, putative 0.0021 0.0169 0.0771
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0169 0.03
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0053 0.0547 0.0547
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0159 0.0678
Echinococcus granulosus leucine aminopeptidase protein 0.0102 0.1129 0.3045
Schistosoma mansoni ap endonuclease 0.0018 0.0139 0.0139
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0268 0.0724
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.0414 0.0414
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0169 0.0169
Plasmodium vivax SET domain protein, putative 0.0029 0.0268 0.1304
Brugia malayi Importin beta-1 subunit 0.0028 0.0257 0.0257
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0042 0.0414 0.0414
Trichomonas vaginalis set domain proteins, putative 0.0232 0.2652 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0414 0.1116
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.0414 0.0414
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.0155 0.0419
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0414 0.0414
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.055 0.055
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0268 0.0268
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0139 0.1114
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0169 0.0771
Echinococcus multilocularis transient receptor potential cation channel 0.0321 0.3708 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0155 0.1746 0.4708
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.002 0.0165 0.0165
Brugia malayi calpain family protein 1 0.0053 0.0547 0.0547
Brugia malayi ecdysone receptor 0.002 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0042 0.0414 0.0414
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0053 0.055 0.4799
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0042 0.0414 0.0414
Echinococcus granulosus calpain A 0.002 0.0159 0.0429
Echinococcus granulosus leucyl aminopeptidase 0.002 0.0165 0.0444
Loa Loa (eye worm) steroid hormone receptor 0.0042 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0102 0.1129 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0055 0.0575 0.155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0042 0.0414 0.1116
Echinococcus multilocularis leucyl aminopeptidase 0.002 0.0165 0.0444
Onchocerca volvulus 0.0053 0.055 0.0677
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.002 0.0165 0.0165
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0268 0.0268
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0159 0.1294
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0268 0.0268
Brugia malayi nuclear receptor NHR-67 0.002 0.0155 0.0155
Onchocerca volvulus Protein ultraspiracle homolog 0.0042 0.0414 0.0444
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4147
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0257 0.2168
Brugia malayi nuclear hormone receptor family member odr-7 0.002 0.0155 0.0155
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.073
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.055 0.055
Schistosoma mansoni calpain C (C02 family) 0.002 0.0159 0.0159
Schistosoma mansoni zinc finger protein 0.002 0.0155 0.0155
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0102 0.1129 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0042 0.0414 0.1116
Loa Loa (eye worm) hypothetical protein 0.0514 0.598 0.598
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0169 0.1381
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Trypanosoma brucei antigen, putative 0.002 0.0159 0.1294
Loa Loa (eye worm) DR-78 0.002 0.0155 0.0155
Brugia malayi tailless protein 0.002 0.0155 0.0155
Schistosoma mansoni nuclear hormone receptor 0.0042 0.0414 0.0414
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0053 0.055 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.055 0.4147
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0053 0.055 1
Brugia malayi Nuclear hormone receptor E75 0.002 0.0155 0.0155
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.002 0.0155 0.0419
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Loa Loa (eye worm) calpain family protein 1 0.0039 0.0383 0.0383
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.055 0.1634
Giardia lamblia Synaptic glycoprotein SC2 0.0053 0.055 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0042 0.0414 0.1116
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.1342
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.1294
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0268 0.0724
Onchocerca volvulus 0.0232 0.2652 0.4287
Echinococcus granulosus calpain A 0.0055 0.0575 0.155
Brugia malayi steroid hormone receptor 0.0042 0.0414 0.0414
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0414 0.0414
Brugia malayi Synaptic glycoprotein SC2 0.0053 0.055 0.055
Brugia malayi hypothetical protein 0.002 0.0155 0.0155
Loa Loa (eye worm) calpain 5 0.0014 0.0089 0.0089
Echinococcus granulosus calpain 0.002 0.0159 0.0429
Trichomonas vaginalis ran, putative 0.0021 0.0169 0.0118
Schistosoma mansoni hypothetical protein 0.0301 0.3469 0.3469
Brugia malayi hypothetical protein 0.0022 0.0183 0.0183
Onchocerca volvulus 0.0033 0.0312 0.0269
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0055 0.0575 0.155
Onchocerca volvulus Bile acid receptor homolog 0.0514 0.598 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.2321 0.2321
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0169 0.0169
Chlamydia trachomatis cytosol aminopeptidase 0.0102 0.1129 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0022 0.0183 0.0183
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0022 0.0183 0.0493
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0268 0.0268
Brugia malayi hypothetical protein 0.002 0.0155 0.0155
Brugia malayi calpain 7 0.002 0.0159 0.0159
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0139 0.0139
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.002 0.0165 0.0165
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4799
Brugia malayi calpain family protein 1 0.0053 0.0547 0.0547
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0169 0.0771
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0042 0.0414 0.1116
Echinococcus granulosus calcium activated potassium channel 0.0009 0.0028 0.0075
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.002 0.0165 0.0444
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0159 0.0159
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0414 0.1116
Loa Loa (eye worm) nuclear receptor nhr-7B 0.002 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0183
Echinococcus multilocularis leucine aminopeptidase protein 0.0102 0.1129 0.3045
Echinococcus multilocularis calcium activated potassium channel 0.0009 0.0028 0.0075
Loa Loa (eye worm) aminopeptidase in chromosome III 0.002 0.0165 0.0165
Echinococcus multilocularis calpain A 0.0055 0.0575 0.155
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0042 0.0414 0.0414
Loa Loa (eye worm) aminopeptidase in chromosome V 0.002 0.0165 0.0165
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0139 0.0139
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0042 0.0414 0.0414
Echinococcus multilocularis nuclear receptor nhr 48 0.002 0.0155 0.0419
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.055 0.4147
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0042 0.0414 0.0414
Brugia malayi Nuclear hormone receptor E75 0.002 0.0155 0.0155
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0159 0.0159
Schistosoma mansoni calpain (C02 family) 0.002 0.0159 0.0159
Echinococcus multilocularis calpain 0.002 0.0159 0.0429
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0575 0.0575
Plasmodium vivax importin-beta 2, putative 0.0028 0.0257 0.1185
Echinococcus multilocularis calpain family protein 1, d 0.0039 0.0383 0.1032
Schistosoma mansoni ran 0.0021 0.0169 0.0169
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0053 0.055 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Brugia malayi nuclear hormone receptor 0.0042 0.0414 0.0414
Echinococcus multilocularis thyroid hormone receptor alpha 0.0042 0.0414 0.1116
Brugia malayi nuclear receptor RXR 0.0022 0.0183 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0042 0.0414 0.0414
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0042 0.0414 0.1116
Schistosoma mansoni nuclear receptor 0.002 0.0155 0.0155
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Echinococcus granulosus nuclear receptor nhr 48 0.002 0.0155 0.0419
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0139 0.0375
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0042 0.0414 0.0414
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0159 0.0678
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0139 0.0486
Loa Loa (eye worm) hypothetical protein 0.0047 0.0476 0.0476
Trypanosoma brucei calpain-like protein, putative 0.002 0.0159 0.1294
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.055 0.1634
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0155 0.0419
Echinococcus granulosus calpain 5 0.002 0.0159 0.0429
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0055 0.0575 0.0575
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.002 0.0155 0.0155
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0053 0.055 0.1483
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0042 0.0414 0.1116
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0183
Echinococcus multilocularis snurportin 1 0.0301 0.3469 0.9356
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0159 0.0678
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0102 0.1129 1
Echinococcus granulosus FTZ F1 alpha 0.0042 0.0414 0.1116
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0169 0.03
Echinococcus granulosus leucyl aminopeptidase 0.002 0.0165 0.0444
Echinococcus multilocularis leucyl aminopeptidase 0.002 0.0165 0.0444
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0139 0.0486
Echinococcus multilocularis FTZ F1 alpha 0.0042 0.0414 0.1116
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.073
Brugia malayi nuclear receptor NHR-88 0.002 0.0155 0.0155
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.002 0.0155 0.0419
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0102 0.1129 1
Schistosoma mansoni ap endonuclease 0.0018 0.0139 0.0139
Echinococcus granulosus thyroid hormone receptor alpha 0.002 0.0155 0.0419
Loa Loa (eye worm) hypothetical protein 0.0053 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Brugia malayi Pre-SET motif family protein 0.0203 0.2321 0.2321
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.055 0.1634
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.055 0.4147
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0042 0.0414 0.0414
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0183 0.0183
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0194 0.0217
Schistosoma mansoni ran 0.0021 0.0169 0.0169
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0042 0.0414 0.0414
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0855 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0053 0.055 0.055
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0257 0.1185
Loa Loa (eye worm) hypothetical protein 0.0053 0.055 0.055
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0042 0.0414 0.0414
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.073
Echinococcus granulosus synaptic glycoprotein sc2 0.0053 0.055 0.1483
Trypanosoma brucei calpain-like protein, putative 0.002 0.0159 0.1294
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.4431
Schistosoma mansoni thyroid hormone receptor 0.0042 0.0414 0.0414
Plasmodium vivax calpain, putative 0.002 0.0159 0.0202
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0042 0.0414 0.1116
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0169 0.0456
Schistosoma mansoni RAR-like nuclear receptor 0.0042 0.0414 0.0414
Schistosoma mansoni nuclear receptor nhr-48 0.002 0.0155 0.0155
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0042 0.0414 0.0414
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0042 0.0414 0.1116
Entamoeba histolytica Ran family GTPase 0.0021 0.0169 0.174
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.1342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0183 0.0183
Brugia malayi photoreceptor-specific nuclear receptor 0.0042 0.0414 0.0414
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0257 0.0692
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0159 0.0678
Loa Loa (eye worm) hypothetical protein 0.0022 0.0183 0.0183
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.0155 0.0419
Trypanosoma brucei kinesin, putative 0.0014 0.0089 0.0661
Echinococcus multilocularis ankyrin repeat protein 0.0315 0.3632 0.9796
Schistosoma mansoni steroid hormone receptor ad4bp 0.0042 0.0414 0.0414
Schistosoma mansoni nuclear hormone receptor 0.002 0.0155 0.0155
Brugia malayi Steroid receptor seven-up type 2 0.0042 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0042 0.0414 0.0414
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0053 0.055 0.1483
Echinococcus granulosus ankyrin repeat protein 0.0315 0.3632 0.9796
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.002 0.0155 0.0155
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.002 0.0165 0.073
Loa Loa (eye worm) nuclear hormone receptor 0.002 0.0155 0.0155
Echinococcus multilocularis calpain 5 0.002 0.0159 0.0429
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0053 0.055 0.4431
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0042 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.002 0.0155 0.0155
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.055 0.1634
Plasmodium vivax polyprenol reductase, putative 0.0053 0.055 0.4147

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23 nM Inhibitory actitivity against Steroid 5-alpha-reductase in prostates from male rats ChEMBL. 7636849
IC50 (binding) = 23 nM Inhibitory actitivity against Steroid 5-alpha-reductase in prostates from male rats ChEMBL. 7636849

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.