Detailed information for compound 938922

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.502 | Formula: C22H33NO3
  • H donors: 1 H acceptors: 2 LogP: 4.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)C=CC(=O)N2)C
  • InChi: 1S/C22H33NO3/c1-13(20(25)26-4)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23-18)17(14)9-11-21(15,16)2/h10,12-18H,5-9,11H2,1-4H3,(H,23,24)/t13?,14-,15+,16-,17-,18?,21+,22+/m0/s1
  • InChiKey: AIFCUVNKIXTICB-WOGBKHSXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0054 0.0094
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0046 0.0539 0.0482
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0381 0.0423
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Schistosoma mansoni hypothetical protein 0.003 0.0285 0.0401
Brugia malayi follicle stimulating hormone receptor 0.0231 0.3596 0.5348
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0046 0.0539 0.0482
Schistosoma mansoni hypothetical protein 0.0041 0.046 0.0705
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0381 0.0423
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.1335 0.2301
Loa Loa (eye worm) hypothetical protein 0.0027 0.0224 0.0334
Loa Loa (eye worm) hypothetical protein 0.0081 0.1119 0.1669
Loa Loa (eye worm) RNA binding protein 0.0254 0.3979 0.5937
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0381 0.0324
Loa Loa (eye worm) hypothetical protein 0.0139 0.2071 0.309
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0232 0.0312
Leishmania major hypothetical protein, conserved 0.003 0.0285 0.2021
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0046 0.0539 0.0679
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0776 0.1337
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.0539 0.0324
Loa Loa (eye worm) hypothetical protein 0.0048 0.058 0.0866
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0463 0.0406
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0174 0.2664 0.3448
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0961 0.1657
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0463 0.3618
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
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0046 0.0539 0.0482
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0054 0.0094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.2302 0.3434
Leishmania major cytochrome p450-like protein 0.0046 0.0539 0.4297
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0381 0.1236
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0046 0.0539 0.0482
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0463 0.0571
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0463 0.0658
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0046 0.0539 0.0679
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.058 0.0866
Schistosoma mansoni inositol monophosphatase 0.0036 0.0381 0.0569
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0961 0.1657
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0024 0.0036
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.058 0.1
Trypanosoma brucei trypanothione reductase 0.0048 0.058 0.4669
Echinococcus granulosus geminin 0.0365 0.5803 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0046 0.0539 0.0679
Schistosoma mansoni zinc finger protein 0.0039 0.0425 0.0645
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Echinococcus multilocularis smad 0.0016 0.0054 0.0094
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0232 0.0346
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.006 0.0103
Brugia malayi Thioredoxin reductase 0.0048 0.058 0.0833
Brugia malayi MH2 domain containing protein 0.0016 0.0054 0.0046
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0046 0.0539 0.0679
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Brugia malayi TAR-binding protein 0.0254 0.3979 0.5922
Loa Loa (eye worm) hypothetical protein 0.0104 0.1505 0.2245
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Brugia malayi MH1 domain containing protein 0.0016 0.0054 0.0046
Onchocerca volvulus Huntingtin homolog 0.0139 0.2071 0.2476
Brugia malayi beta-lactamase 0.0041 0.0463 0.0658
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0046 0.0539 0.0482
Schistosoma mansoni hypothetical protein 0.0104 0.1505 0.2523
Echinococcus granulosus lamin dm0 0.0027 0.0232 0.04
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0539 0.4297
Echinococcus multilocularis lamin 0.0027 0.0232 0.04
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0046 0.0539 0.0482
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0319 0.0367
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.2302 0.3411
Loa Loa (eye worm) beta-lactamase 0.0041 0.0463 0.0691
Loa Loa (eye worm) hypothetical protein 0.0052 0.0647 0.0965
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0346
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0363 0.0541
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0463 0.0571
Echinococcus granulosus Smad4 0.0016 0.0054 0.0094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1335 0.2228
Brugia malayi RNA binding protein 0.0254 0.3979 0.5922
Echinococcus multilocularis 0.0046 0.0539 0.0928
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.1601 0.2183
Leishmania major hypothetical protein, conserved 0.0041 0.0463 0.3618
Toxoplasma gondii cytochrome p450 superfamily protein 0.0046 0.0539 0.184
Brugia malayi intermediate filament protein 0.0027 0.0232 0.0312
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0054 0.0081
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.1804 0.247
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0342 0.0501
Echinococcus multilocularis zinc finger protein 0.0039 0.0425 0.0733
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0463 0.0798
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0046 0.0539 0.0679
Brugia malayi glutathione reductase 0.0048 0.058 0.0833
Loa Loa (eye worm) hypothetical protein 0.014 0.2102 0.3135
Schistosoma mansoni hypothetical protein 0.0037 0.039 0.0583
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.006 0.0054
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.058 0.0737
Brugia malayi cytochrome P450 0.0046 0.0539 0.0771
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.1335 0.2301
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.006 0.5
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.1601 0.2183
Onchocerca volvulus 0.0477 0.7659 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1041 0.1553
Echinococcus multilocularis tar DNA binding protein 0.0254 0.3979 0.6858
Brugia malayi MH2 domain containing protein 0.0016 0.0054 0.0046
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0342 0.059
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0381 0.0657
Brugia malayi Cytochrome P450 family protein 0.0046 0.0539 0.0771
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.058 0.1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0444 0.712 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0046 0.0539 0.0679
Plasmodium vivax glutathione reductase, putative 0.0048 0.058 0.7267
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.1175 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0046 0.0539 0.0482
Brugia malayi hypothetical protein 0.0139 0.2071 0.3066
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0381 0.0657
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.1601 0.2183
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0046 0.0539 0.0679
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.058 0.0833
Echinococcus granulosus intermediate filament protein 0.0027 0.0232 0.04
Onchocerca volvulus 0.0052 0.0647 0.0559
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.2598 0.3875
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0046 0.0539 0.0679
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.058 0.1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0776 0.1255
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.1804 0.247
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0119 0.174 0.2999
Onchocerca volvulus 0.006 0.0776 0.0732
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0619 1 1
Brugia malayi PHD-finger family protein 0.0049 0.06 0.0863
Brugia malayi Smad1 0.0016 0.0054 0.0046
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0054 0.0094
Trypanosoma cruzi ISWI complex protein 0.003 0.0285 0.2021
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0174 0.2664 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Brugia malayi Inositol-1 0.0036 0.0381 0.0535
Loa Loa (eye worm) Smad1 0.0016 0.0054 0.0081
Echinococcus multilocularis tumor protein p63 0.0357 0.5683 0.9794
Leishmania major trypanothione reductase 0.0048 0.058 0.4669
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0046 0.0539 0.4297
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0463 0.0571
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.039 0.0583
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.3596 0.5365
Schistosoma mansoni inositol monophosphatase 0.0036 0.0381 0.0569
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0619 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.1175 1
Loa Loa (eye worm) CYP4Cod1 0.0084 0.1175 0.1752
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0232 0.0346
Brugia malayi Cytochrome P450 family protein 0.0084 0.1175 0.1723
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0046 0.0539 0.0679
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0046 0.0539 0.0482
Onchocerca volvulus 0.0041 0.0463 0.0311
Brugia malayi beta-lactamase family protein 0.0041 0.0463 0.0658
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0463 0.0531
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0046 0.0539 0.0679
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0522 0.09
Schistosoma mansoni hypothetical protein 0.0046 0.0539 0.0842
Mycobacterium tuberculosis Probable reductase 0.011 0.1601 0.2183
Echinococcus granulosus GPCR family 2 0.0048 0.058 0.1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.058 0.1
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0463 0.0571
Loa Loa (eye worm) TAR-binding protein 0.0254 0.3979 0.5937
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0444 0.712 1
Mycobacterium leprae putative cytochrome p450 0.0046 0.0539 0.0324
Mycobacterium ulcerans beta-lactamase 0.0041 0.0463 0.0406
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.039 0.0671
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.1804 0.2183
Brugia malayi Pre-SET motif family protein 0.006 0.0776 0.1126
Trypanosoma brucei cytochrome P450, putative 0.0084 0.1175 1
Echinococcus granulosus tumor protein p63 0.0357 0.5683 0.9794
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0046 0.0539 0.0482
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0254 0.3979 0.5937
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0046 0.0539 0.4297
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0046 0.0539 0.0679
Echinococcus granulosus tar DNA binding protein 0.0254 0.3979 0.6858
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0463 0.0798
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0522 0.0814
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0054 0.0081
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.058 0.7267
Trichomonas vaginalis esterase, putative 0.0041 0.0463 0.0531
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0463 0.0531
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.1804 0.247
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0463 0.0691
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0263 0.4125 0.5758
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0046 0.0539 0.0679
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Echinococcus multilocularis Smad4 0.0016 0.0054 0.0094
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0046 0.0539 0.0482
Brugia malayi Bromodomain containing protein 0.0076 0.1039 0.152
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.1601 0.2183
Brugia malayi hypothetical protein 0.0037 0.039 0.0548
Loa Loa (eye worm) inositol-1 0.0036 0.0381 0.0569
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.2302 0.3411
Toxoplasma gondii thioredoxin reductase 0.0048 0.058 0.1999
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0522 0.09
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0084 0.1175 0.1122
Schistosoma mansoni bromodomain containing protein 0.0126 0.1858 0.3137
Brugia malayi Cytochrome P450 family protein 0.0084 0.1175 0.1723
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0174 0.2664 0.262
Mycobacterium tuberculosis Conserved protein 0.0041 0.0463 0.0571
Schistosoma mansoni lamin 0.0027 0.0232 0.0309
Trypanosoma brucei ISWI complex protein 0.003 0.0285 0.2021
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0463 0.5631
Leishmania major cytochrome p450-like protein 0.0084 0.1175 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.058 0.0866
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.376 0.561
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0463 0.0571
Brugia malayi Latrophilin receptor protein 2 0.0048 0.058 0.0833
Echinococcus granulosus zinc finger protein 0.0039 0.0425 0.0733
Leishmania major cytochrome p450-like protein 0.0046 0.0539 0.4297
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0619 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0342 0.0501
Brugia malayi Bromodomain containing protein 0.0149 0.2242 0.3321
Echinococcus multilocularis musashi 0.0027 0.0232 0.04
Schistosoma mansoni hypothetical protein 0.0365 0.5803 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.058 0.1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0463 0.0571
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.058 0.0866
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0046 0.0539 0.0482
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0046 0.0539 0.0679
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0046 0.0539 0.0482
Schistosoma mansoni lamin 0.0027 0.0232 0.0309
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0463 0.0212
Brugia malayi beta-lactamase family protein 0.0041 0.0463 0.0658
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0046 0.0539 0.0482
Echinococcus granulosus lamin 0.0027 0.0232 0.04
Plasmodium falciparum thioredoxin reductase 0.0048 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.2302 0.3434
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0046 0.0539 0.0679
Entamoeba histolytica hypothetical protein 0.0037 0.039 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Schistosoma mansoni tar DNA-binding protein 0.0254 0.3979 0.6828
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.1175 0.1752
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.376 0.561
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0119 0.174 0.2999
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0463 0.0711
Mycobacterium ulcerans hypothetical protein 0.0041 0.0463 0.0406
Onchocerca volvulus 0.0041 0.0463 0.0311
Loa Loa (eye worm) hypothetical protein 0.0094 0.1335 0.1992
Plasmodium vivax SET domain protein, putative 0.006 0.0776 1
Schistosoma mansoni hypothetical protein 0.0365 0.5803 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.1601 0.1885
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0776 0.1255
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0046 0.0539 0.0482
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0046 0.0539 0.0482
Onchocerca volvulus Huntingtin homolog 0.0139 0.2071 0.2476
Brugia malayi MH2 domain containing protein 0.0241 0.376 0.5594
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.039 0.0671
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.1601 0.2183
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0046 0.0539 0.0482
Loa Loa (eye worm) hypothetical protein 0.0039 0.0419 0.0626
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0463 0.3618
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.006 0.0103
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0046 0.0539 0.0679
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0381 0.0324
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0739 0.1274
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1505 0.2218
Schistosoma mansoni zinc finger protein 0.003 0.0285 0.0401
Echinococcus granulosus smad 0.0016 0.0054 0.0094
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0463 0.0406
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0463 0.0531
Trichomonas vaginalis set domain proteins, putative 0.0477 0.7659 1
Brugia malayi Pre-SET motif family protein 0.0419 0.6703 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.058 0.1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0342 0.059
Echinococcus multilocularis GPCR, family 2 0.0048 0.058 0.1
Echinococcus granulosus cytochrome P450 2K1 0.0046 0.0539 0.0928
Schistosoma mansoni intermediate filament proteins 0.0027 0.0232 0.0309
Mycobacterium ulcerans lipase LipD 0.0041 0.0463 0.0406
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0381 0.0423
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0691
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0046 0.0539 0.0679
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.1175 0.1752
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0046 0.0539 0.0482
Loa Loa (eye worm) hypothetical protein 0.0085 0.1181 0.1763
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0046 0.0539 0.0679
Mycobacterium leprae Probable lipase LipE 0.0041 0.0463 0.0212
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0046 0.0539 0.0679
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0381 0.2886
Echinococcus multilocularis lamin dm0 0.0027 0.0232 0.04
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0776 0.2751
Brugia malayi Cytochrome P450 family protein 0.017 0.2598 0.3853
Brugia malayi RNA recognition motif domain containing protein 0.0254 0.3979 0.5922
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.058 0.4669
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.6703 1
Echinococcus multilocularis geminin 0.0365 0.5803 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0463 0.3618
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.046 0.0686
Schistosoma mansoni hypothetical protein 0.0048 0.058 0.0915
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0046 0.0539 0.0482
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0046 0.0539 0.0679
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0046 0.0539 0.0482
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.006 0.0009
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0463 0.0571
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0174 0.2664 0.262
Toxoplasma gondii ABC1 family protein 0.0041 0.0463 0.1549
Brugia malayi MH1 domain containing protein 0.0016 0.0054 0.0046
Onchocerca volvulus 0.0041 0.0463 0.0311
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0647 0.1031
Schistosoma mansoni cytochrome P450 0.0046 0.0539 0.0842
Loa Loa (eye worm) hypothetical protein 0.0139 0.2071 0.309
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0463 0.0711
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0054 0.0094
Plasmodium falciparum glutathione reductase 0.0048 0.058 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.1335 0.2228
Trypanosoma cruzi ISWI complex protein 0.003 0.0285 0.2021
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0046 0.0539 0.0482
Loa Loa (eye worm) cytochrome P450 0.0046 0.0539 0.0804

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 0.0001 M In vitro antagonist activity against rat prostatic androgen receptor (AR) ChEMBL. 3783591
IC50 ratio (binding) = 30 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.
 
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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