Detailed information for compound 159764

Basic information

Technical information
  • TDR Targets ID: 159764
  • Name: 4-[2-[[(E)-3-[1-(3-methyl-1-phenylbutyl)indol -5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • MW: 524.65 | Formula: C33H36N2O4
  • H donors: 2 H acceptors: 3 LogP: 7.03 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CC(n1ccc2c1ccc(c2)/C(=C/C(=O)Nc1ccccc1OCCCC(=O)O)/C)c1ccccc1)C
  • InChi: 1S/C33H36N2O4/c1-23(2)20-30(25-10-5-4-6-11-25)35-18-17-27-22-26(15-16-29(27)35)24(3)21-32(36)34-28-12-7-8-13-31(28)39-19-9-14-33(37)38/h4-8,10-13,15-18,21-23,30H,9,14,19-20H2,1-3H3,(H,34,36)(H,37,38)/b24-21+
  • InChiKey: INWIJMBQRFVKAJ-DARPEHSRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[2-[[(E)-3-[1-(3-methyl-1-phenyl-butyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-[1-(3-methyl-1-phenylbutyl)-5-indolyl]-1-oxobut-2-enyl]amino]phenoxy]butanoic acid
  • 4-[2-[[(E)-3-[1-(3-methyl-1-phenyl-butyl)indol-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 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 %
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 %
Loa Loa (eye worm) hypothetical protein Steroid 5-alpha-reductase   254 aa 218 aa 45.9 %
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase Steroid 5-alpha-reductase   254 aa 255 aa 36.1 %
Trichomonas vaginalis conserved hypothetical protein Steroid 5-alpha-reductase   254 aa 239 aa 21.8 %
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 211 aa 29.9 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1083 0.1334 0.3517
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.0043 0.0043
Leishmania major carboxylase, putative 0.3044 0.3794 0.3794
Leishmania major hypothetical protein, conserved 0.0137 0.0147 0.0147
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0053 0.0043 0.0044
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.028 0.0327 0.0449
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1083 0.1334 0.3517
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.027 0.027
Plasmodium falciparum polyprenol reductase, putative 0.0053 0.0043 0.0056
Onchocerca volvulus 0.0071 0.0065 0.2574
Schistosoma mansoni aspartate carbamoyltransferase 0.0688 0.0839 0.0839
Schistosoma mansoni acetyl-CoA carboxylase 0.7991 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.3044 0.3794 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.3044 0.3794 0.3794
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1083 0.1334 0.3399
Trichomonas vaginalis inositol monophosphatase, putative 0.0073 0.0068 0.2148
Brugia malayi hypothetical protein 0.0235 0.027 0.028
Mycobacterium ulcerans hypothetical protein 0.0071 0.0065 0.017
Loa Loa (eye worm) hypothetical protein 0.0048 0.0036 0.0038
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0015 0.0013
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0002 0.0002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0065 0.0067
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0688 0.0839 0.1357
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0043 0.004
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.028 0.0327 0.0695
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.028 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0057 0.0047 0.0049
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0021 0.0021
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0137 0.0147 0.0147
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0069
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0043 0.004
Schistosoma mansoni dynamin 0.0024 0.0006 0.0006
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0068 0.011
Schistosoma mansoni inositol monophosphatase 0.0073 0.0068 0.0068
Chlamydia trachomatis biotin carboxylase 0.2764 0.3443 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.3044 0.3794 1
Echinococcus multilocularis inositol monophosphatase 1 0.0073 0.0068 0.0068
Toxoplasma gondii ABC1 family protein 0.0071 0.0065 0.0062
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.028 0.0327 0.0449
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0034 0.1061
Echinococcus multilocularis dynamin 1 0.0024 0.0006 0.0006
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0015 0.0025
Mycobacterium ulcerans glutaminase 0.0271 0.0316 0.0834
Onchocerca volvulus 0.0048 0.0036 0.0017
Schistosoma mansoni hypothetical protein 0.0336 0.0398 0.0398
Brugia malayi Dynamin 0.0024 0.0006 0.0006
Onchocerca volvulus 0.0071 0.0065 0.2574
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0065 0.2044
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1083 0.1334 0.1334
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1083 0.1334 0.3416
Onchocerca volvulus 0.0071 0.0065 0.2574
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.028 0.0327 0.0862
Echinococcus granulosus dna polymerase eta 0.0044 0.0032 0.0032
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.028 0.0327 0.0327
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.028 0.0327 0.0325
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0036 0.0036
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0065 0.0067
Leishmania major DNA polymerase eta, putative 0.0031 0.0015 0.0015
Plasmodium vivax dynamin-like protein, putative 0.0022 0.0004 0.0002
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1083 0.1334 0.1334
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0065 0.2044
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0034 0.0036
Loa Loa (eye worm) hypothetical protein 0.0235 0.027 0.028
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0089 0.0089
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1083 0.1334 0.3517
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0056
Schistosoma mansoni hypothetical protein 0.0047 0.0034 0.0034
Schistosoma mansoni hypothetical protein 0.0047 0.0034 0.0034
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0065 0.017
Entamoeba histolytica dynamin-1-like protein, putative 0.0022 0.0004 0.0022
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0068 0.2148
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.028 0.0327 0.0325
Mycobacterium ulcerans hypothetical protein 0.028 0.0327 0.0862
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.028 0.0327 0.0529
Echinococcus granulosus dynamin 1 protein 0.0022 0.0004 0.0004
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.028 0.0327 0.0529
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0065 0.017
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Leishmania major carbamoyl-phosphate synthase, putative 0.0688 0.0839 0.0839
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0047 0.0034 0.0034
Echinococcus multilocularis microtubule associated protein 2 0.067 0.0817 0.0817
Schistosoma mansoni hypothetical protein 0.0336 0.0398 0.0398
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.028 0.0327 0.0862
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0065 0.017
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0053 0.0043 0.0252
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.1344
Loa Loa (eye worm) hypothetical protein 0.0044 0.0032 0.0033
Schistosoma mansoni dynamin 0.0024 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.3044 0.3794 1
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.028 0.0327 0.0449
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.1344
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.028 0.0327 0.0327
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.3044 0.3794 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0073 0.0068 0.0066
Loa Loa (eye worm) hypothetical protein 0.028 0.0327 0.0339
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1083 0.1334 0.3517
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0688 0.0839 0.1157
Leishmania major importin beta-1 subunit, putative 0.0046 0.0034 0.0034
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0043 0.1344
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0053 0.0043 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0021 0.0021
Trypanosoma brucei dynamin-1-like protein 0.0022 0.0004 0.0004
Brugia malayi Dynamin 0.0024 0.0006 0.0006
Brugia malayi beta-lactamase family protein 0.0071 0.0065 0.0067
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3044 0.3794 0.6138
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0002 0.0002
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0047 0.0047
Onchocerca volvulus 0.0053 0.0043 0.0585
Brugia malayi glutaminase DH11.1 0.0271 0.0316 0.0328
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0065 0.017
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0032 0.0032
Mycobacterium ulcerans beta-lactamase 0.0071 0.0065 0.017
Schistosoma mansoni hypothetical protein 0.0048 0.0036 0.0036
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1083 0.1334 0.3416
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0022 0.0004 0.0119
Toxoplasma gondii carbamoylphosphate synthetase 0.0688 0.0839 0.0837
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0068 0.0068
Brugia malayi beta-lactamase family protein 0.0071 0.0065 0.0067
Echinococcus granulosus Biotin lipoyl attachment 0.028 0.0327 0.0327
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0065 0.017
Mycobacterium ulcerans pyruvate carboxylase 0.3044 0.3794 1
Toxoplasma gondii dynamin-related protein DRPA 0.0022 0.0004 0.0001
Schistosoma mansoni survival motor neuron protein 0.0048 0.0036 0.0036
Echinococcus granulosus dynamin 1 0.0024 0.0006 0.0006
Mycobacterium tuberculosis Probable oxidoreductase 0.0556 0.0673 0.1774
Toxoplasma gondii dynamin-related protein DRPB 0.0022 0.0004 0.0001
Entamoeba histolytica Ran family GTPase 0.0021 0.0002 0.0014
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.7991 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1083 0.1334 0.1334
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Echinococcus granulosus tumor protein p63 0.0328 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.028 0.0327 0.0339
Echinococcus granulosus synaptic glycoprotein sc2 0.0053 0.0043 0.0043
Mycobacterium ulcerans short chain dehydrogenase 0.0556 0.0673 0.1774
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1083 0.1334 0.3517
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1083 0.1334 0.2158
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0137 0.0147 0.0238
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.028 0.0327 0.0325
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Leishmania major GTP-binding protein, putative 0.0022 0.0004 0.0004
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.028 0.0327 0.0327
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.028 0.0327 0.0529
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0034 0.0034
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0065 0.017
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.028 0.0327 0.0327
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.028 0.0327 0.0862
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0065 0.0017
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0053 0.0043 0.0043
Echinococcus granulosus geminin 0.0336 0.0398 0.0398
Echinococcus multilocularis dynamin 1 protein 0.0022 0.0004 0.0004
Echinococcus granulosus muscleblind protein 0.0293 0.0344 0.0344
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7711 0.9649 1
Entamoeba histolytica hypothetical protein 0.0036 0.0021 0.0123
Loa Loa (eye worm) glutaminase 2 0.0271 0.0316 0.0328
Loa Loa (eye worm) glutaminase 0.0271 0.0316 0.0328
Schistosoma mansoni DNA polymerase eta 0.0044 0.0032 0.0032
Brugia malayi beta-lactamase 0.0071 0.0065 0.0067
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0034 0.0034
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0036 0.0037
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0089 0.0092
Giardia lamblia Synaptic glycoprotein SC2 0.0053 0.0043 0.0252
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.028 0.0327 0.0339
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0073 0.0068 0.0403
Entamoeba histolytica hypothetical protein 0.0053 0.0043 0.0252
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.028 0.0327 0.0719
Schistosoma mansoni hypothetical protein 0.0605 0.0734 0.0734
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1083 0.1334 0.2158
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0688 0.0839 0.0839
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0065 0.017
Loa Loa (eye worm) DRP-1 protein 0.0022 0.0004 0.0004
Trypanosoma cruzi dynamin-1-like protein 0.0022 0.0004 0.0006
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0065 0.017
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0065 0.017
Entamoeba histolytica dynamin-like protein 0.0022 0.0004 0.0022
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0044
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0044
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5783 0.723 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1083 0.1334 0.3416
Echinococcus granulosus inositol monophosphatase 1 0.0073 0.0068 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.0161 0.0167
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0053 0.0043 0.0043
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0089 0.0092
Trichomonas vaginalis ran, putative 0.0021 0.0002 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0089 0.0089
Echinococcus multilocularis muscleblind protein 1 0.0293 0.0344 0.0344
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0688 0.0839 0.0839
Schistosoma mansoni hypothetical protein 0.0101 0.0102 0.0102
Trypanosoma cruzi Emopamil binding protein, putative 0.0137 0.0147 0.0238
Plasmodium falciparum dynamin-like protein 0.0022 0.0004 0.0002
Trichomonas vaginalis importin beta-1, putative 0.0046 0.0034 0.1061
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.7991 1 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.028 0.0327 0.0529
Onchocerca volvulus 0.0137 0.0147 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1083 0.1334 0.2158
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.028 0.0327 0.0339
Trypanosoma brucei unspecified product 0.2001 0.2486 0.2486
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.028 0.0327 0.0449
Mycobacterium ulcerans lipase LipD 0.0071 0.0065 0.017
Mycobacterium leprae Probable lipase LipE 0.0071 0.0065 0.0017
Echinococcus multilocularis dna polymerase eta 0.0044 0.0032 0.0032
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0452 0.0543 0.143
Plasmodium vivax polyprenol reductase, putative 0.0053 0.0043 0.0056
Entamoeba histolytica hypothetical protein 0.0036 0.0021 0.0123
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.1344
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.028 0.0327 0.0695
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0069
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0688 0.0839 0.1357
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0366 0.0435 0.0703
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0366 0.0435 0.045
Entamoeba histolytica hypothetical protein 0.0036 0.0021 0.0123
Echinococcus multilocularis synaptic glycoprotein sc2 0.0053 0.0043 0.0043
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3044 0.3794 0.3794
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.028 0.0327 0.0529
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.028 0.0327 0.0327
Echinococcus multilocularis muscleblind protein 0.0293 0.0344 0.0344
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.028 0.0327 0.0327
Brugia malayi Muscleblind-like protein 0.0293 0.0344 0.0357
Echinococcus granulosus GPCR family 2 0.0047 0.0034 0.0034
Brugia malayi Synaptic glycoprotein SC2 0.0053 0.0043 0.0044
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.028 0.0327 0.0327
Brugia malayi RNA, U transporter 1 0.0161 0.0178 0.0184
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0047 0.0047
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.027 0.027
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0065 0.2044
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3044 0.3794 0.6138
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0187 0.021 0.0218
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0068 0.0068
Echinococcus multilocularis snurportin 1 0.0605 0.0734 0.0734
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3044 0.3794 0.3794
Trypanosoma cruzi acetyl-CoA carboxylase 0.4947 0.6182 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0034 0.0034
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3044 0.3794 0.3794
Loa Loa (eye worm) inositol-1 0.0073 0.0068 0.007
Loa Loa (eye worm) hypothetical protein 0.0047 0.0034 0.0036
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0002 0.0004
Trypanosoma brucei acetyl-CoA carboxylase 0.7991 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0065 0.0105
Echinococcus granulosus microtubule associated protein 2 0.067 0.0817 0.0817
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.028 0.0327 0.0327
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0073 0.0068 0.011
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1083 0.1334 0.3233
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0073 0.0068 0.2148
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.028 0.0327 0.0327
Echinococcus multilocularis GPCR, family 2 0.0047 0.0034 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0089 0.0089
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0043
Echinococcus multilocularis Biotin lipoyl attachment 0.028 0.0327 0.0327
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.028 0.0327 0.0327
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0043 0.1344
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0065 0.0065
Mycobacterium tuberculosis Conserved protein 0.0071 0.0065 0.017
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0034 0.1061
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.028 0.0327 0.0327
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0066 0.0058 0.0154
Schistosoma mansoni inositol monophosphatase 0.0073 0.0068 0.0068
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.7991 1 1
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.3044 0.3794 1
Schistosoma mansoni hypothetical protein 0.0047 0.0034 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0065 0.0065
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.028 0.0327 0.0327
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.028 0.0327 0.0327
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.3044 0.3794 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.028 0.0327 0.0529
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0002 0.0002
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0053 0.0043 0.0043
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.3044 0.3794 0.3794
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0073 0.0068 0.0179
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0065 0.0086
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0065 0.0105
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0053 0.0043 0.0252
Entamoeba histolytica hypothetical protein 0.0036 0.0021 0.0123
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.028 0.0327 0.0327
Schistosoma mansoni importin beta-1 0.0057 0.0047 0.0047
Trypanosoma brucei Emopamil binding protein, putative 0.0137 0.0147 0.0147
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0043 0.1344
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.028 0.0327 0.0529
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0056
Plasmodium falciparum carbamoyl phosphate synthetase 0.0688 0.0839 0.1157
Plasmodium falciparum dynamin-like protein 0.0022 0.0004 0.0002
Leishmania major GTP-binding protein, putative 0.0021 0.0002 0.0002
Schistosoma mansoni microtubule-associated protein tau 0.067 0.0817 0.0817
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0034 0.0036
Leishmania major hypothetical protein, conserved 0.0071 0.0065 0.0065
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0089 0.0089
Schistosoma mansoni ran 0.0021 0.0002 0.0002
Echinococcus granulosus importin subunit beta 1 0.0057 0.0047 0.0047
Schistosoma mansoni pyruvate carboxylase 0.3044 0.3794 0.3794
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0089 0.0089
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.028 0.0327 0.0325
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1363 0.1685 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0102 0.0106
Trypanosoma brucei C-8 sterol isomerase, putative 0.0366 0.0435 0.0435
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0032 0.0033
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0065 0.0065
Trichomonas vaginalis glutaminase, putative 0.0271 0.0316 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0688 0.0839 0.2069
Trichomonas vaginalis esterase, putative 0.0071 0.0065 0.2044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0089 0.0089
Echinococcus granulosus snurportin 1 0.0605 0.0734 0.0734
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5783 0.723 1
Schistosoma mansoni hypothetical protein 0.0036 0.0021 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.0161 0.0167
Toxoplasma gondii pyruvate carboxylase 0.3044 0.3794 0.3793
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0044
Loa Loa (eye worm) hypothetical protein 0.0024 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1083 0.1334 0.1334
Trichomonas vaginalis mgm1, putative 0.0022 0.0004 0.0119
Brugia malayi hypothetical protein 0.0036 0.0021 0.0022
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0047 0.0047
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1083 0.1334 0.3517
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.028 0.0327 0.0449
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0065 0.2044
Trypanosoma brucei dynamin-1-like protein 0.0022 0.0004 0.0004
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.028 0.0327 0.0862
Trichomonas vaginalis dynamin, putative 0.0022 0.0004 0.0119
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0065 0.0065
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3044 0.3794 0.3794
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0089 0.0089
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.028 0.0327 0.0719
Loa Loa (eye worm) hypothetical protein 0.028 0.0327 0.0339
Schistosoma mansoni ran 0.0021 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0071 0.0065 0.0067
Trypanosoma cruzi Emopamil binding protein, putative 0.0137 0.0147 0.0238
Echinococcus multilocularis tumor protein p63 0.0328 0.0388 0.0388
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0053 0.0043 0.1344
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0053 0.0043 0.1344
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1083 0.1334 0.1332
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.3044 0.3794 0.3794
Brugia malayi Carboxyl transferase domain containing protein 0.7711 0.9649 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0002 0.0002
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0032 0.0051
Mycobacterium tuberculosis Conserved protein 0.0071 0.0065 0.017
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1083 0.1334 0.1334
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.028 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0147 0.0161 0.0167
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0053 0.0043 0.0043
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.028 0.0327 0.0325
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0065 0.0065
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1083 0.1334 0.3517
Echinococcus multilocularis dynamin 0.0022 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0293 0.0344 0.0357
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0053 0.0043 0.004
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1363 0.1685 1
Loa Loa (eye worm) beta-lactamase 0.0071 0.0065 0.0067
Schistosoma mansoni glutaminase 0.0271 0.0316 0.0316
Leishmania major DNA polymerase eta, putative 0.0044 0.0032 0.0032
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.028 0.0327 0.0862
Leishmania major C-8 sterol isomerase-like protein 0.0366 0.0435 0.0435
Brugia malayi Inositol-1 0.0073 0.0068 0.007
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0047 0.0045
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.0102 0.0106
Echinococcus granulosus dynamin 0.0022 0.0004 0.0004
Treponema pallidum pyruvate carboxylase subunit B 0.028 0.0327 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0605 0.0734 0.0761
Plasmodium vivax dynamin protein, putative 0.0022 0.0004 0.0002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.0161 0.0167
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0053 0.0043 0.0252
Brugia malayi Importin beta-1 subunit 0.0057 0.0047 0.0049
Entamoeba histolytica hypothetical protein 0.0046 0.0034 0.0199
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0688 0.0839 0.2211
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0137 0.0147 0.0238
Trypanosoma cruzi importin beta-1 subunit, putative 0.0046 0.0034 0.0054
Schistosoma mansoni dynamin 0.0022 0.0004 0.0004
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0002 0.0014
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.028 0.0327 0.0339
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.3044 0.3794 1
Mycobacterium ulcerans hypothetical protein 0.0053 0.0043 0.0112
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1083 0.1334 0.1334
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0034 0.0036
Plasmodium vivax importin-beta 2, putative 0.0057 0.0047 0.0062
Plasmodium falciparum importin beta, putative 0.0057 0.0047 0.0062
Loa Loa (eye worm) hypothetical protein 0.0366 0.0435 0.045
Loa Loa (eye worm) hypothetical protein 0.0293 0.0344 0.0357
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0043 0.1344
Brugia malayi Dynamin central region family protein 0.0022 0.0004 0.0004
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1083 0.1334 0.3517
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0688 0.0839 0.0839
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0065 0.2044
Leishmania major acetyl-CoA carboxylase, putative 0.7991 1 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.0065 0.017
Echinococcus multilocularis geminin 0.0336 0.0398 0.0398
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0034 0.0034
Giardia lamblia Dynamin 0.0022 0.0004 0.0022

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.3 nM Inhibitory actitivity against Steroid 5-alpha-reductase in prostates from male rats ChEMBL. 7636849
IC50 (binding) = 6.3 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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