Detailed information for compound 160330

Basic information

Technical information
  • TDR Targets ID: 160330
  • Name: 4-[2-[[(E)-3-[1-[phenyl(pyridin-4-yl)methyl]i ndol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • MW: 545.628 | Formula: C34H31N3O4
  • H donors: 2 H acceptors: 4 LogP: 5.93 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)CCCOc1ccccc1NC(=O)/C=C(/c1ccc2c(c1)ccn2C(c1ccncc1)c1ccccc1)\C
  • InChi: 1S/C34H31N3O4/c1-24(22-32(38)36-29-10-5-6-11-31(29)41-21-7-12-33(39)40)27-13-14-30-28(23-27)17-20-37(30)34(25-8-3-2-4-9-25)26-15-18-35-19-16-26/h2-6,8-11,13-20,22-23,34H,7,12,21H2,1H3,(H,36,38)(H,39,40)/b24-22+
  • InChiKey: ADTCOWNUGMDJTK-ZNTNEXAZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-[[(E)-3-[1-[phenyl(4-pyridyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-1-oxo-3-[1-[phenyl(4-pyridyl)methyl]-5-indolyl]but-2-enyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-[1-[phenyl(4-pyridyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid
  • 4-[2-[[(E)-3-[1-(phenyl-pyridin-4-ylmethyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-[1-[phenyl-(4-pyridyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-1-oxo-3-[1-[phenyl-(4-pyridyl)methyl]-5-indolyl]but-2-enyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-[1-[phenyl-(4-pyridyl)methyl]indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid
  • 4-[2-[[(E)-3-[1-(phenyl-pyridin-4-yl-methyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic 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
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 226 aa 36.7 %
Leishmania braziliensis 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 329 aa 23.1 %
Trypanosoma brucei gambiense 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative Steroid 5-alpha-reductase   254 aa 283 aa 29.7 %
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Steroid 5-alpha-reductase   254 aa 255 aa 36.1 %
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 249 aa 34.9 %
Trichomonas vaginalis conserved hypothetical protein Steroid 5-alpha-reductase   254 aa 239 aa 21.8 %
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 334 aa 25.1 %
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 211 aa 29.9 %
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 284 aa 33.1 %
Loa Loa (eye worm) hypothetical protein Steroid 5-alpha-reductase   254 aa 218 aa 45.9 %
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative Steroid 5-alpha-reductase   254 aa 284 aa 32.7 %
Leishmania mexicana 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein Steroid 5-alpha-reductase   254 aa 435 aa 22.3 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0053 0.0245 0.1837
Plasmodium vivax polyprenol reductase, putative 0.0053 0.0245 0.0432
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0201 0.1332 0.1247
Trichomonas vaginalis sucrase-isomaltase, putative 0.0031 0.0083 0.0624
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0031 0.0083 0.0624
Schistosoma mansoni hypothetical protein 0.0051 0.0232 0.0273
Echinococcus granulosus lysosomal alpha glucosidase 0.014 0.0879 0.1641
Leishmania major cytochrome p450-like protein 0.0048 0.0207 0.0366
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.1837
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.1385 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0083 0.0624
Echinococcus granulosus thioredoxin glutathione reductase 0.0033 0.0101 0.0188
Brugia malayi Glycosyl hydrolases family 31 protein 0.014 0.0879 0.0879
Brugia malayi Cytochrome P450 family protein 0.0048 0.0207 0.0207
Leishmania major cytochrome p450-like protein 0.0033 0.0097 0.0171
Brugia malayi Thioredoxin reductase 0.0033 0.0101 0.0101
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.1837
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.1046 0.1046
Mycobacterium ulcerans hypothetical protein 0.1385 1 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.0097 0.0097
Trypanosoma cruzi cytochrome P450, putative 0.0048 0.0207 0.0661
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0083 0.0265
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0432
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0245 1
Trypanosoma brucei trypanothione reductase 0.0033 0.0101 0.0322
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0245 1
Leishmania major alpha glucosidase II subunit, putative 0.0031 0.0083 0.0147
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Schistosoma mansoni cytochrome P450 0.0033 0.0097 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0128 0.0239
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0085 0.0477 0.0384
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0083 0.0624
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.0245 0.0287
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0083 0.0624
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0076 0.0415 0.0321
Schistosoma mansoni hypothetical protein 0.0111 0.0669 0.0785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0033 0.0101 0.0004
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0053 0.0245 0.1837
Brugia malayi glutathione reductase 0.0033 0.0101 0.0101
Loa Loa (eye worm) cytochrome P450 0.0033 0.0097 0.0162
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0232 0.0434
Echinococcus granulosus synaptic glycoprotein sc2 0.0053 0.0245 0.0457
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0207 0.0345
Schistosoma mansoni hypothetical protein 0.0051 0.0232 0.0273
Echinococcus multilocularis lysosomal alpha glucosidase 0.014 0.0879 0.1641
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0053 0.0245 0.1837
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.1385 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0076 0.0415 0.0321
Brugia malayi Glycosyl hydrolases family 31 protein 0.0031 0.0083 0.0083
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0031 0.0083 0.0624
Loa Loa (eye worm) hypothetical protein 0.0053 0.0245 0.0408
Echinococcus multilocularis 0.0033 0.0097 0.0181
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0083 0.0624
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0245 0.1837
Echinococcus multilocularis GPCR, family 2 0.0051 0.0232 0.0434
Brugia malayi N-terminal motif family protein 0.0147 0.093 0.093
Echinococcus multilocularis lysosomal alpha glucosidase 0.014 0.0879 0.1641
Schistosoma mansoni acetolactate synthase 0.1184 0.8524 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0031 0.0083 0.0624
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0245 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.0053 0.0245 0.0457
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0083 0.0265
Entamoeba histolytica hypothetical protein 0.0053 0.0245 0.1837
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.0245 0.0287
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0794 0.5671 0.9454
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0432
Entamoeba histolytica hypothetical protein 0.0031 0.0082 0.0616
Toxoplasma gondii cytochrome p450 superfamily protein 0.0033 0.0097 0.3964
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0076 0.0415 0.0321
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Toxoplasma gondii thioredoxin reductase 0.0033 0.0101 0.4122
Schistosoma mansoni hypothetical protein 0.0051 0.0232 0.0273
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0448 0.3135 1
Leishmania major cytochrome p450-like protein 0.0033 0.0097 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0128 0.015
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0201 0.1332 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0053 0.0245 0.0408
Loa Loa (eye worm) hypothetical protein 0.0111 0.0669 0.1116
Leishmania major trypanothione reductase 0.0033 0.0101 0.0178
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0781
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0082 0.0096
Trypanosoma cruzi cytochrome P450, putative 0.0048 0.0207 0.0661
Plasmodium vivax glutathione reductase, putative 0.0033 0.0101 0.0178
Mycobacterium tuberculosis Probable dehydrogenase 0.0076 0.0415 0.0321
Loa Loa (eye worm) hypothetical protein 0.0051 0.0232 0.0388
Mycobacterium ulcerans hypothetical protein 0.0448 0.3135 0.3067
Schistosoma mansoni hypothetical protein 0.0051 0.0232 0.0273
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0031 0.0083 0.3395
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.0669 0.0669
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0201 0.1332 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0128 0.0239
Echinococcus granulosus neuropeptide receptor A26 0.0751 0.5359 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.1385 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0448 0.3135 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0053 0.0245 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0245 0.1837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0128 0.0239
Echinococcus multilocularis neuropeptide receptor A26 0.0751 0.5359 1
Echinococcus granulosus cytochrome P450 2K1 0.0033 0.0097 0.0181
Entamoeba histolytica hypothetical protein 0.0031 0.0082 0.0616
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0053 0.0245 0.0432
Mycobacterium ulcerans hypothetical protein 0.0053 0.0245 0.0149
Schistosoma mansoni alpha-glucosidase 0.012 0.0737 0.0864
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0031 0.0083 0.0138
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0232 0.0434
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0085 0.0477 0.0384
Loa Loa (eye worm) hypothetical protein 0.0053 0.0245 0.0408
Trypanosoma brucei glucosidase, putative 0.0031 0.0083 0.0265
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0246 0.1659 0.1577
Onchocerca volvulus 0.0081 0.0448 0.2965
Loa Loa (eye worm) thioredoxin reductase 0.0033 0.0101 0.0168
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0053 0.0245 0.0457
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0246 0.1659 0.1577
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0245 0.1837
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0448 0.3135 0.5537
Echinococcus multilocularis thioredoxin glutathione reductase 0.0033 0.0101 0.0188
Plasmodium vivax thioredoxin reductase, putative 0.0033 0.0101 0.0178
Echinococcus granulosus neutral alpha glucosidase AB 0.0031 0.0083 0.0155
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0207 0.0345
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0593 0.4195 0.4138
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0245 0.1837
Loa Loa (eye worm) hypothetical protein 0.0147 0.093 0.1551
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0781
Schistosoma mansoni acetolactate synthase 0.1184 0.8524 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.1837
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.1385 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0128 0.0214
Mycobacterium ulcerans acetolactate synthase 0.0793 0.5661 0.5618
Plasmodium falciparum glutathione reductase 0.0033 0.0101 0.0178
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0793 0.5661 0.5618
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0793 0.5661 0.5618
Schistosoma mansoni hypothetical protein 0.0033 0.0097 0.0114
Brugia malayi Cytochrome P450 family protein 0.0048 0.0207 0.0207
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0448 0.3135 1
Plasmodium falciparum acyl-CoA synthetase 0.0793 0.5661 1
Giardia lamblia Synaptic glycoprotein SC2 0.0053 0.0245 0.1837
Loa Loa (eye worm) hypothetical protein 0.0162 0.1046 0.1744
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0232 0.0232
Entamoeba histolytica hypothetical protein 0.0031 0.0082 0.0616
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0128 0.015
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.1385 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0033 0.0097 0.0309
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0082 0.0153
Echinococcus multilocularis neuropeptide s receptor 0.0751 0.5359 1
Schistosoma mansoni hypothetical protein 0.0031 0.0082 0.0096
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.1046 0.1046
Schistosoma mansoni alpha glucosidase 0.0031 0.0083 0.0097
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0232 0.0232
Trypanosoma brucei cytochrome P450, putative 0.0048 0.0207 0.0661
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0245 0.1837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0128 0.015
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.1837
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0085 0.0477 0.0384
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0147 0.093 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0031 0.0083 0.0155
Trichomonas vaginalis alpha-glucosidase, putative 0.0031 0.0083 0.0624
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0053 0.0245 0.0781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0048 0.0207 0.0111
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0793 0.5661 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0448 0.3135 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0033 0.0097 0.0309
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.1385 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0033 0.0097 0.0309
Loa Loa (eye worm) glutathione reductase 0.0033 0.0101 0.0168
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0245 0.0781
Brugia malayi hypothetical protein 0.0031 0.0082 0.0082
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0033 0.0097 0.0309
Loa Loa (eye worm) cytochrome P450 family protein 0.0129 0.0803 0.134
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0033 0.0097 0.0171
Entamoeba histolytica hypothetical protein 0.0031 0.0082 0.0616
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0076 0.0415 0.0321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0128 0.0239
Schistosoma mansoni alpha-glucosidase 0.012 0.0737 0.0864
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0232 0.0434
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0085 0.0477 0.0384
Loa Loa (eye worm) ILVBL protein 0.0839 0.5998 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0076 0.0415 0.0321
Plasmodium falciparum polyprenol reductase, putative 0.0053 0.0245 0.0432
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0232 0.0434
Plasmodium vivax acyl-CoA synthetase, putative 0.0793 0.5661 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.1046 0.1744
Loa Loa (eye worm) CYP4Cod1 0.0048 0.0207 0.0345
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.014 0.0879 0.1466
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0201 0.1332 0.1247
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0053 0.0245 0.0457
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0232 0.0388
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0031 0.0083 0.0624
Brugia malayi cytochrome P450 0.0033 0.0097 0.0097
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0201 0.1332 1
Treponema pallidum pyruvate oxidoreductase 0.0201 0.1332 0.5
Echinococcus granulosus GPCR family 2 0.0051 0.0232 0.0434
Brugia malayi Synaptic glycoprotein SC2 0.0053 0.0245 0.0245
Mycobacterium tuberculosis Probable reductase 0.0076 0.0415 0.0321
Plasmodium falciparum thioredoxin reductase 0.0033 0.0101 0.0178
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0101 0.0322
Brugia malayi Cytochrome P450 family protein 0.0129 0.0803 0.0803
Echinococcus granulosus neuropeptide s receptor 0.0751 0.5359 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0031 0.0083 0.0624
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0082 0.0153

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 26 nM Inhibitory actitivity against Steroid 5-alpha-reductase in prostates from male rats ChEMBL. 7636849
IC50 (binding) = 26 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.

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