Detailed information for compound 1072121

Basic information

Technical information
  • TDR Targets ID: 1072121
  • Name: methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-d imethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-d odecahydroindeno[5,4-f]quinoline-1-carboxylat e
  • MW: 331.449 | Formula: C20H29NO3
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)N2
  • InChi: 1S/C20H29NO3/c1-19-10-8-14-12(13(19)5-6-15(19)18(23)24-3)4-7-16-20(14,2)11-9-17(22)21-16/h9,11-16H,4-8,10H2,1-3H3,(H,21,22)/t12-,13-,14-,15+,16+,19-,20+/m0/s1
  • InChiKey: WMSQGMYJYBSBKA-ALHYADCGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid methyl ester
  • (1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid methyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Androgen Receptor 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.006 0.0776 0.0732
Brugia malayi RNA binding protein 0.0254 0.3979 0.5922
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0463 0.0406
Loa Loa (eye worm) hypothetical protein 0.0104 0.1505 0.2245
Schistosoma mansoni zinc finger protein 0.003 0.0285 0.0401
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0463 0.0406
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0046 0.0539 0.0482
Echinococcus multilocularis tar DNA binding protein 0.0254 0.3979 0.6858
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Brugia malayi MH2 domain containing protein 0.0016 0.0054 0.0046
Leishmania major cytochrome p450-like protein 0.0084 0.1175 1
Brugia malayi Pre-SET motif family protein 0.006 0.0776 0.1126
Echinococcus multilocularis 0.0046 0.0539 0.0928
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.0539 0.0324
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.1601 0.2183
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0054 0.0094
Echinococcus granulosus zinc finger protein 0.0039 0.0425 0.0733
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0046 0.0539 0.0482
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0463 0.0711
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0647 0.1031
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0046 0.0539 0.0482
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.0036
Brugia malayi Smad1 0.0016 0.0054 0.0046
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0046 0.0539 0.0679
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Brugia malayi RNA recognition motif domain containing protein 0.0254 0.3979 0.5922
Loa Loa (eye worm) beta-lactamase 0.0041 0.0463 0.0691
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0381 0.0657
Loa Loa (eye worm) TAR-binding protein 0.0254 0.3979 0.5937
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.1804 0.247
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.2598 0.3875
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0046 0.0539 0.4297
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.2302 0.3411
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0046 0.0539 0.0482
Echinococcus granulosus lamin 0.0027 0.0232 0.04
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0381 0.0423
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.058 0.1
Brugia malayi follicle stimulating hormone receptor 0.0231 0.3596 0.5348
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0119 0.174 0.2999
Schistosoma mansoni lamin 0.0027 0.0232 0.0309
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0046 0.0539 0.0679
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0522 0.09
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0046 0.0539 0.0482
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0046 0.0539 0.0679
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0046 0.0539 0.0482
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0381 0.0324
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Schistosoma mansoni hypothetical protein 0.0046 0.0539 0.0842
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0046 0.0539 0.0679
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Echinococcus granulosus cytochrome P450 2K1 0.0046 0.0539 0.0928
Schistosoma mansoni hypothetical protein 0.0104 0.1505 0.2523
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.2302 0.3411
Brugia malayi Cytochrome P450 family protein 0.0046 0.0539 0.0771
Trypanosoma cruzi ISWI complex protein 0.003 0.0285 0.2021
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0776 0.1255
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0463 0.0531
Schistosoma mansoni hypothetical protein 0.0037 0.039 0.0583
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.039 0.0671
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0522 0.09
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1505 0.2218
Loa Loa (eye worm) hypothetical protein 0.0048 0.058 0.0866
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Brugia malayi Thioredoxin reductase 0.0048 0.058 0.0833
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0961 0.1657
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0381 0.1236
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0232 0.0346
Loa Loa (eye worm) hypothetical protein 0.0139 0.2071 0.309
Brugia malayi beta-lactamase family protein 0.0041 0.0463 0.0658
Leishmania major hypothetical protein, conserved 0.0041 0.0463 0.3618
Mycobacterium ulcerans beta-lactamase 0.0041 0.0463 0.0406
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0522 0.0814
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0232 0.0312
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0463 0.0658
Echinococcus multilocularis lamin dm0 0.0027 0.0232 0.04
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0342 0.0501
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.6703 1
Schistosoma mansoni hypothetical protein 0.003 0.0285 0.0401
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.058 0.1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.058 0.0833
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.1175 0.1752
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0046 0.0539 0.0482
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Onchocerca volvulus 0.0041 0.0463 0.0311
Schistosoma mansoni hypothetical protein 0.0365 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.2302 0.3434
Brugia malayi TAR-binding protein 0.0254 0.3979 0.5922
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0054 0.0094
Echinococcus granulosus intermediate filament protein 0.0027 0.0232 0.04
Echinococcus multilocularis musashi 0.0027 0.0232 0.04
Mycobacterium leprae Probable lipase LipE 0.0041 0.0463 0.0212
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.3596 0.5365
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.058 0.1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.1601 0.2183
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0463 0.0798
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.058 0.1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0046 0.0539 0.0679
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.1601 0.2183
Loa Loa (eye worm) RNA binding protein 0.0254 0.3979 0.5937
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.1175 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.2071 0.2476
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0046 0.0539 0.0482
Brugia malayi Cytochrome P450 family protein 0.0084 0.1175 0.1723
Schistosoma mansoni hypothetical protein 0.0365 0.5803 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Mycobacterium tuberculosis Probable reductase 0.011 0.1601 0.2183
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0046 0.0539 0.0482
Echinococcus multilocularis GPCR, family 2 0.0048 0.058 0.1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0046 0.0539 0.0482
Schistosoma mansoni hypothetical protein 0.0041 0.046 0.0705
Loa Loa (eye worm) hypothetical protein 0.0094 0.1335 0.1992
Brugia malayi cytochrome P450 0.0046 0.0539 0.0771
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.058 0.0737
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0174 0.2664 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0174 0.2664 0.262
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Brugia malayi Bromodomain containing protein 0.0149 0.2242 0.3321
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.046 0.0686
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0381 0.0324
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0463 0.5631
Schistosoma mansoni zinc finger protein 0.0039 0.0425 0.0645
Echinococcus granulosus lamin dm0 0.0027 0.0232 0.04
Onchocerca volvulus 0.0041 0.0463 0.0311
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0463 0.3618
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0046 0.0539 0.0679
Onchocerca volvulus 0.0041 0.0463 0.0311
Brugia malayi hypothetical protein 0.0037 0.039 0.0548
Trypanosoma brucei trypanothione reductase 0.0048 0.058 0.4669
Loa Loa (eye worm) hypothetical protein 0.0039 0.0419 0.0626
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.376 0.561
Onchocerca volvulus 0.0477 0.7659 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0381 0.0423
Loa Loa (eye worm) hypothetical protein 0.0052 0.0647 0.0965
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0463 0.0711
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0046 0.0539 0.0482
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Trichomonas vaginalis set domain proteins, putative 0.0477 0.7659 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0381 0.0657
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0046 0.0539 0.0482
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0046 0.0539 0.0482
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0463 0.0531
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.1335 0.2301
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0463 0.0571
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.1804 0.247
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1335 0.2228
Brugia malayi Pre-SET motif family protein 0.0419 0.6703 1
Brugia malayi beta-lactamase 0.0041 0.0463 0.0658
Loa Loa (eye worm) CYP4Cod1 0.0084 0.1175 0.1752
Mycobacterium leprae putative cytochrome p450 0.0046 0.0539 0.0324
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Schistosoma mansoni cytochrome P450 0.0046 0.0539 0.0842
Brugia malayi Cytochrome P450 family protein 0.0084 0.1175 0.1723
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0046 0.0539 0.0679
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0346
Schistosoma mansoni intermediate filament proteins 0.0027 0.0232 0.0309
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0046 0.0539 0.0482
Leishmania major cytochrome p450-like protein 0.0046 0.0539 0.4297
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.058 0.1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0381 0.0569
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0046 0.0539 0.0679
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0174 0.2664 0.3448
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0046 0.0539 0.0482
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0174 0.2664 0.262
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0463 0.0571
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0046 0.0539 0.0679
Brugia malayi Latrophilin receptor protein 2 0.0048 0.058 0.0833
Echinococcus granulosus tar DNA binding protein 0.0254 0.3979 0.6858
Loa Loa (eye worm) hypothetical protein 0.014 0.2102 0.3135
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0046 0.0539 0.0679
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0046 0.0539 0.0679
Echinococcus granulosus geminin 0.0365 0.5803 1
Leishmania major hypothetical protein, conserved 0.003 0.0285 0.2021
Plasmodium vivax SET domain protein, putative 0.006 0.0776 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0254 0.3979 0.5937
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0444 0.712 1
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.1804 0.247
Brugia malayi MH2 domain containing protein 0.0016 0.0054 0.0046
Plasmodium falciparum glutathione reductase 0.0048 0.058 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0961 0.1657
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0046 0.0539 0.0679
Loa Loa (eye worm) hypothetical protein 0.0139 0.2071 0.309
Brugia malayi MH1 domain containing protein 0.0016 0.0054 0.0046
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0463 0.0798
Toxoplasma gondii ABC1 family protein 0.0041 0.0463 0.1549
Schistosoma mansoni bromodomain containing protein 0.0126 0.1858 0.3137
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0054 0.0094
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0463 0.3618
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0232 0.0346
Echinococcus multilocularis Smad4 0.0016 0.0054 0.0094
Trypanosoma brucei cytochrome P450, putative 0.0084 0.1175 1
Brugia malayi glutathione reductase 0.0048 0.058 0.0833
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0046 0.0539 0.0679
Echinococcus granulosus tumor protein p63 0.0357 0.5683 0.9794
Loa Loa (eye worm) hypothetical protein 0.0027 0.0224 0.0334
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0054 0.0081
Brugia malayi Bromodomain containing protein 0.0076 0.1039 0.152
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.006 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.1601 0.2183
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.058 0.0866
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.1175 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.006 0.0009
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.1175 0.1752
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0463 0.0571
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0319 0.0367
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0463 0.0212
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0342 0.059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1335 0.2228
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0363 0.0541
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.039 0.0583
Trichomonas vaginalis esterase, putative 0.0041 0.0463 0.0531
Trypanosoma cruzi ISWI complex protein 0.003 0.0285 0.2021
Loa Loa (eye worm) Smad1 0.0016 0.0054 0.0081
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0342 0.059
Brugia malayi Inositol-1 0.0036 0.0381 0.0535
Brugia malayi MH1 domain containing protein 0.0016 0.0054 0.0046
Loa Loa (eye worm) glutathione reductase 0.0048 0.058 0.0866
Trypanosoma brucei ISWI complex protein 0.003 0.0285 0.2021
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0046 0.0539 0.4297
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0776 0.1337
Brugia malayi hypothetical protein 0.0139 0.2071 0.3066
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0776 0.2751
Leishmania major cytochrome p450-like protein 0.0046 0.0539 0.4297
Loa Loa (eye worm) cytochrome P450 0.0046 0.0539 0.0804
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.058 0.4669
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0046 0.0539 0.0679
Schistosoma mansoni lamin 0.0027 0.0232 0.0309
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0463 0.0571
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0046 0.0539 0.0482
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0119 0.174 0.2999
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0046 0.0539 0.0679
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.006 0.0054
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0046 0.0539 0.0679
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0046 0.0539 0.0679
Echinococcus multilocularis lamin 0.0027 0.0232 0.04
Echinococcus granulosus smad 0.0016 0.0054 0.0094
Brugia malayi PHD-finger family protein 0.0049 0.06 0.0863
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.4125 0.5758
Echinococcus granulosus GPCR family 2 0.0048 0.058 0.1
Brugia malayi MH2 domain containing protein 0.0241 0.376 0.5594
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0054 0.0081
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.058 0.1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0054 0.0094
Echinococcus multilocularis smad 0.0016 0.0054 0.0094
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.058 0.0866
Loa Loa (eye worm) hypothetical protein 0.0085 0.1181 0.1763
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0046 0.0539 0.0482
Loa Loa (eye worm) inositol-1 0.0036 0.0381 0.0569
Mycobacterium ulcerans lipase LipD 0.0041 0.0463 0.0406
Brugia malayi Cytochrome P450 family protein 0.017 0.2598 0.3853
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.1601 0.1885
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0463 0.0571
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.2302 0.3434
Brugia malayi intermediate filament protein 0.0027 0.0232 0.0312
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0046 0.0539 0.0679
Echinococcus multilocularis zinc finger protein 0.0039 0.0425 0.0733
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.376 0.561
Brugia malayi beta-lactamase family protein 0.0041 0.0463 0.0658
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0342 0.0501
Leishmania major trypanothione reductase 0.0048 0.058 0.4669
Toxoplasma gondii cytochrome p450 superfamily protein 0.0046 0.0539 0.184
Echinococcus multilocularis tumor protein p63 0.0357 0.5683 0.9794
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0776 0.1255
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.006 0.0103
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Echinococcus multilocularis geminin 0.0365 0.5803 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1119 0.1669
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0046 0.0539 0.0482
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0381 0.0423
Schistosoma mansoni inositol monophosphatase 0.0036 0.0381 0.0569
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.1601 0.2183
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0084 0.1175 0.1122
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0444 0.712 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.006 0.0103
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0463 0.3618
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0046 0.0539 0.0679
Plasmodium falciparum thioredoxin reductase 0.0048 0.058 1
Onchocerca volvulus Huntingtin homolog 0.0139 0.2071 0.2476
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.1804 0.2183
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0046 0.0539 0.0482
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0046 0.0539 0.0482
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.058 0.7267
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0463 0.0571
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0463 0.0691
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0046 0.0539 0.0679
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Echinococcus granulosus Smad4 0.0016 0.0054 0.0094
Onchocerca volvulus 0.0052 0.0647 0.0559
Mycobacterium ulcerans hypothetical protein 0.0041 0.0463 0.0406
Plasmodium vivax glutathione reductase, putative 0.0048 0.058 0.7267
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.039 0.0671
Toxoplasma gondii thioredoxin reductase 0.0048 0.058 0.1999
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0739 0.1274
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0463 0.0571
Loa Loa (eye worm) hypothetical protein 0.0076 0.1041 0.1553
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.1335 0.2301

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.0000032 M In vitro antagonist activity against rat prostatic androgen receptor (AR) ChEMBL. 3783591
IC50 ratio (binding) = 36 Ratio of IC50 to that of 10x compound against Steroid 5-alpha-reductase ChEMBL. 3783591

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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