Detailed information for compound 167094

Basic information

Technical information
  • TDR Targets ID: 167094
  • Name: tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[( 1S,3E,7R,14S)-7-[(3-chloro-4-methoxyphenyl)me thyl]-11,11-dimethyl-14-(2-methylpropyl)-5,8, 12,15-tetraoxo-13,16-dioxa-6,9-diazacyclohexa dec-3-en-1-yl]-2-hydroxybutyl]phenyl]methylam ino]-2-oxoethyl]-N-methylcarbamate
  • MW: 905.9 | Formula: C45H62Cl2N4O11
  • H donors: 4 H acceptors: 7 LogP: 6.83 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1Cl)C[C@H]1NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC(=O)C(CNC1=O)(C)C)CC(C)C)[C@@H]([C@H]([C@H](c1ccc(cc1)CNC(=O)CN(C(=O)OC(C)(C)C)C)Cl)O)C
  • InChi: 1S/C45H62Cl2N4O11/c1-26(2)20-35-41(56)60-33(27(3)39(54)38(47)30-17-14-28(15-18-30)23-48-37(53)24-51(9)43(58)62-44(4,5)6)12-11-13-36(52)50-32(22-29-16-19-34(59-10)31(46)21-29)40(55)49-25-45(7,8)42(57)61-35/h11,13-19,21,26-27,32-33,35,38-39,54H,12,20,22-25H2,1-10H3,(H,48,53)(H,49,55)(H,50,52)/b13-11+/t27-,32+,33-,35-,38-,39+/m0/s1
  • InChiKey: NNONCSGUJBUQLL-MYWQDWTDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(1S,3E,7R,14S)-7-[(3-chloro-4-methoxy-phenyl)methyl]-14-isobutyl-11,11-dimethyl-5,8,12,15-tetraoxo-13,16-dioxa-6,9-diazacyclohexadec-3-en-1-yl]-2-hydroxy-butyl]phenyl]methylamino]-2-oxo-ethyl]-N-methyl-carbamate
  • N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(1S,3E,7R,14S)-7-[(3-chloro-4-methoxyphenyl)methyl]-14-isobutyl-11,11-dimethyl-5,8,12,15-tetraoxo-13,16-dioxa-6,9-diazacyclohexadec-3-en-1-yl]-2-hydroxybutyl]phenyl]methylamino]-2-oxoethyl]-N-methylcarbamic acid tert-butyl ester
  • tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(1S,3E,7R,14S)-7-[(3-chloro-4-methoxy-phenyl)methyl]-11,11-dimethyl-14-(2-methylpropyl)-5,8,12,15-tetraoxo-13,16-dioxa-6,9-diazacyclohexadec-3-en-1-yl]-2-hydroxy-butyl]phenyl]methylamino]-2-oxo-ethyl]-N-methyl-carbamate
  • N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(1S,3E,7R,14S)-7-(3-chloro-4-methoxy-benzyl)-14-isobutyl-5,8,12,15-tetraketo-11,11-dimethyl-13,16-dioxa-6,9-diazacyclohexadec-3-en-1-yl]-2-hydroxy-butyl]benzyl]amino]-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester
  • tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxybutyl]phenyl]methylamino]-2-oxoethyl]-N-methylcarbamate
  • tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6,6-dimethyl-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxy-butyl]phenyl]methylamino]-2-oxo-ethyl]-N-methyl-carbamate
  • N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-isobutyl-6,6-dimethyl-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxybutyl]phenyl]methylamino]-2-oxoethyl]-N-methylcarbamic acid tert-butyl ester
  • N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-2,5,9,12-tetraketo-6,6-dimethyl-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxy-butyl]benzyl]amino]-2-keto-ethyl]-N-methyl-carbamic acid tert-butyl ester
  • tert-butyl N-[2-[[4-[(1S,2R,3R)-1-chloro-3-[(3S,10R,13E,16S)-10-[(3-chloro-4-methoxy-phenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-2,5,9,12-tetraoxo-1,4-dioxa-8,11-diazacyclohexadec-13-en-16-yl]-2-hydroxy-butyl]phenyl]methylamino]-2-oxo-ethyl]-N-methyl-carbamate

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
Leishmania major cathepsin L-like protease 0.0064 0.1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0048 0.0654 0.0928
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Schistosoma mansoni importin beta-1 0.0029 0.0249 0.0326
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0025 0.0171 0.0149
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0048 0.0654 0.0654
Brugia malayi PAS domain containing protein 0.0145 0.2721 0.2699
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0023 0.0113 0.0088
Onchocerca volvulus 0.0048 0.0654 0.2999
Loa Loa (eye worm) hypothetical protein 0.0239 0.4709 0.4709
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0048 0.0654 0.0661
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0934 0.3156
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0086 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0433 0.4156
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0086 0.0616
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0433 0.1407
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0048 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Brugia malayi nuclear receptor NHR-88 0.0023 0.0113 0.0083
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0094 0.0224
Schistosoma mansoni retinoic acid receptor RXR 0.0048 0.0654 0.0928
Brugia malayi ecdysone receptor 0.0023 0.0113 0.0083
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0294 0.2924
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.003 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0433 0.4156
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0171 0.1457
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0186 0.0166
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.115 0.1187
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0783 0.0783
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0038 0.0433 0.0433
Brugia malayi nuclear hormone receptor 0.0048 0.0654 0.0626
Echinococcus multilocularis nuclear receptor nhr 48 0.0023 0.0113 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.0654 0.0626
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Brugia malayi hypothetical protein 0.0025 0.0171 0.0141
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0132 0.0356
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.0654 0.0626
Leishmania major protein kinase, putative 0.0038 0.0433 0.4156
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0249 0.226
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0038 0.0433 0.4156
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0048 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0025 0.0165 0.0165
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.0654 0.0661
Echinococcus multilocularis ecdysone induced protein 78C 0.0048 0.0654 0.0661
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0132 0.1052
Brugia malayi Nuclear hormone receptor E75 0.0023 0.0113 0.0083
Loa Loa (eye worm) hypothetical protein 0.0025 0.0165 0.0165
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Schistosoma mansoni thyroid hormone receptor 0.0048 0.0654 0.0928
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.0654 0.0626
Leishmania major protein kinase, putative 0.0038 0.0433 0.4156
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0294 0.028
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0048 0.0654 0.2999
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0048 0.0654 0.0626
Echinococcus granulosus intermediate filament protein 0.0054 0.0783 0.0798
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0094 0.0068
Echinococcus granulosus single minded 2 0.0108 0.1917 0.2
Brugia malayi nuclear hormone receptor family member nhr-6 0.0023 0.0113 0.0083
Leishmania major cathepsin L-like protease 0.0064 0.1 1
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0226 0.2018
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0171 0.1457
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0048 0.0654 0.0928
Brugia malayi hypothetical protein 0.0023 0.0113 0.0083
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Trichomonas vaginalis ran, putative 0.0021 0.0086 0.0194
Schistosoma mansoni nuclear receptor nhr-48 0.0023 0.0113 0.0124
Brugia malayi intermediate filament protein 0.0054 0.0783 0.0755
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.115 0.1666
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0226 0.0683
Plasmodium falciparum importin beta, putative 0.0029 0.0249 0.8292
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Brugia malayi RNA, U transporter 1 0.0083 0.1391 0.1365
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0171 0.021
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.4709 0.4958
Echinococcus granulosus lamin 0.0054 0.0783 0.0798
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0023 0.0113 0.0088
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0294 0.028
Trichomonas vaginalis guanylate cyclase, putative 0.0038 0.0433 0.1407
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0707 0.6977
Echinococcus granulosus ecdysone induced protein 78C 0.0048 0.0654 0.0661
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0048 0.0654 0.0626
Schistosoma mansoni survival motor neuron protein 0.0049 0.0666 0.0945
Schistosoma mansoni nuclear receptor 0.0023 0.0113 0.0124
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0247 0.0247
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0934 0.1344
Entamoeba histolytica hypothetical protein 0.0072 0.115 1
Entamoeba histolytica hypothetical protein 0.0072 0.115 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0433 0.1407
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.0654 0.0626
Mycobacterium leprae Possible regulatory protein 0.0038 0.0433 0.1211
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0048 0.0654 0.0661
Trichomonas vaginalis adenylate cyclase, putative 0.0038 0.0433 0.1407
Schistosoma mansoni zinc finger protein 0.0023 0.0113 0.0124
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0048 0.0654 0.0654
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0038 0.0433 0.0427
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0086 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0048 0.0654 0.0626
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0934 0.3156
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0247 0.0218
Echinococcus multilocularis neuropeptide s receptor 0.0463 0.9468 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0086 0.0059
Brugia malayi nuclear receptor RXR 0.0025 0.0171 0.0141
Mycobacterium ulcerans L-lysine aminotransferase 0.0022 0.0094 0.0224
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0226 0.0226
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0048 0.0654 0.0626
Echinococcus granulosus neuropeptide receptor A26 0.0463 0.9468 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0094 0.0224
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0025 0.0171 0.0149
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0171 0.5344
Brugia malayi hypothetical protein 0.0072 0.115 0.1124
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0025 0.0171 0.021
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0113 0.0088
Brugia malayi Nuclear hormone receptor E75 0.0023 0.0113 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0433 0.1407
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0048 0.0654 0.0626
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0294 0.0393
Trichomonas vaginalis guanylate cyclase, putative 0.0038 0.0433 0.1407
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0086 0.0059
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0294 0.2725
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0038 0.0433 0.4156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0048 0.0654 0.0654
Brugia malayi tailless protein 0.0023 0.0113 0.0083
Brugia malayi hypothetical protein 0.0023 0.0113 0.0083
Schistosoma mansoni hypothetical protein 0.0335 0.6757 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0048 0.0654 0.0661
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0094 0.0224
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0048 0.0654 0.0626
Echinococcus granulosus thyroid hormone receptor alpha 0.0023 0.0113 0.0088
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0048 0.0654 0.0928
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.0654 0.0661
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0048 0.0654 0.0661
Echinococcus multilocularis FTZ F1 alpha 0.0048 0.0654 0.0661
Echinococcus granulosus importin subunit beta 1 0.0029 0.0249 0.0232
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Brugia malayi nuclear receptor RXR 0.0023 0.0113 0.0083
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0023 0.0113 0.0088
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0934 1
Loa Loa (eye worm) nuclear hormone receptor 0.0023 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0488 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0783 0.0755
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0132 0.0356
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0023 0.0113 0.0088
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0433 0.1407
Entamoeba histolytica hypothetical protein 0.0072 0.115 1
Brugia malayi hypothetical protein 0.0025 0.0171 0.0142
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0294 0.0265
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0113 0.0088
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0094 0.0224
Brugia malayi photoreceptor-specific nuclear receptor 0.0048 0.0654 0.0626
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0048 0.0654 0.0928
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Echinococcus granulosus lamin dm0 0.0054 0.0783 0.0798
Echinococcus granulosus Nuclear hormone receptor HR96 0.0023 0.0113 0.0088
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0171 0.5344
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0038 0.0433 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0086 0.0497
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0249 0.2425
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0226 0.0226
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0934 0.1344
Schistosoma mansoni ran 0.0021 0.0086 0.0083
Onchocerca volvulus 0.0038 0.0433 0.1774
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0433 0.1407
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0433 0.0433
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0048 0.0654 0.0661
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0226 0.0226
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0094 0.2424
Entamoeba histolytica hypothetical protein 0.0072 0.115 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.0226 0.0196
Loa Loa (eye worm) hypothetical protein 0.0029 0.0249 0.0249
Leishmania major GTP-binding protein, putative 0.0021 0.0086 0.0574
Brugia malayi Cytochrome P450 family protein 0.0028 0.0226 0.0196
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0023 0.0113 0.0113
Schistosoma mansoni ran 0.0021 0.0086 0.0083
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0294 0.2725
Brugia malayi orphan nuclear receptor NR2E1 0.0023 0.0113 0.0083
Schistosoma mansoni intermediate filament proteins 0.0054 0.0783 0.1119
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0154 0.2895 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0023 0.0113 0.0088
Mycobacterium tuberculosis Probable aminotransferase 0.0154 0.2895 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0048 0.0654 0.0661
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0038 0.0433 0.1407
Schistosoma mansoni hypothetical protein 0.0072 0.115 0.1666
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0934 0.9319
Schistosoma mansoni coup transcription factor 0.0048 0.0654 0.0928
Loa Loa (eye worm) steroid hormone receptor 0.0048 0.0654 0.0654
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0094 0.0224
Schistosoma mansoni nuclear receptor 0.0023 0.0113 0.0124
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0249 0.226
Loa Loa (eye worm) hypoxia-induced factor 1 0.045 0.9197 0.9197
Leishmania major cathepsin L-like protease 0.0064 0.1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.6242 0.6242
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0783 0.0783
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0113 0.0124
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0048 0.0654 0.0661
Onchocerca volvulus 0.0054 0.0783 0.3712
Echinococcus multilocularis geminin 0.0335 0.6757 0.7128
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0186 0.0166
Echinococcus granulosus snurportin 1 0.0311 0.6242 0.6582
Onchocerca volvulus Protein ultraspiracle homolog 0.0048 0.0654 0.2999
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0294 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0294 0.0923
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0086 0.0056
Echinococcus granulosus aryl hydrocarbon receptor 0.0038 0.0433 0.0427
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0038 0.0433 0.4156
Brugia malayi nuclear receptor NHR-67 0.0023 0.0113 0.0083
Schistosoma mansoni nuclear hormone receptor 0.0048 0.0654 0.0928
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0048 0.0654 0.0661
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.0654 0.0928
Onchocerca volvulus Bile acid receptor homolog 0.0048 0.0654 0.2999
Schistosoma mansoni hypothetical protein 0.0049 0.0666 0.0945
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0048 0.0654 0.0928
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0249 0.0232
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0666 0.0638
Echinococcus granulosus Nuclear hormone receptor HR96 0.0023 0.0113 0.0088
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0038 0.0433 0.4156
Brugia malayi conserved hypotetical protein 0.0023 0.0113 0.0083
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0294 0.0294
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0294 0.2924
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0094 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0048 0.0654 0.0626
Loa Loa (eye worm) hypothetical protein 0.0026 0.0186 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0048 0.0654 0.0626
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0171 0.0141
Loa Loa (eye worm) nuclear receptor NHR-67 0.0023 0.0113 0.0113
Brugia malayi hypothetical protein 0.0239 0.4709 0.4693
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0094 0.0068
Brugia malayi isocitrate dehydrogenase 0.0031 0.0294 0.0265
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0934 0.0958
Schistosoma mansoni steroid hormone receptor ad4bp 0.0048 0.0654 0.0928
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.4709 0.4958
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0294 0.028
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0023 0.0113 0.0124
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0294 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0132 0.0356
Onchocerca volvulus 0.0108 0.1917 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0094 0.0224
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0934 0.3156
Echinococcus granulosus FTZ F1 alpha 0.0048 0.0654 0.0661
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0154 0.2895 1
Echinococcus granulosus Aminotransferase class III 0.0022 0.0094 0.0068
Onchocerca volvulus 0.0049 0.0666 0.3064
Echinococcus multilocularis lamin 0.0054 0.0783 0.0798
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0086 0.0574
Echinococcus multilocularis neuropeptide receptor A26 0.0463 0.9468 1
Onchocerca volvulus 0.0054 0.0783 0.3712
Schistosoma mansoni lamin 0.0054 0.0783 0.1119
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0171 0.1457
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0048 0.0654 0.0626
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0038 0.0433 0.1407
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0023 0.0113 0.0083
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0048 0.0654 0.0661
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Echinococcus multilocularis aryl hydrocarbon receptor 0.0038 0.0433 0.0427
Schistosoma mansoni hypothetical protein 0.0311 0.6242 0.9234
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0048 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0053 0.0762 0.0762
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0171 0.1563
Brugia malayi Steroid receptor seven-up type 2 0.0048 0.0654 0.0626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0048 0.0654 0.0654
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0934 0.3156
Brugia malayi hypothetical protein 0.0025 0.0171 0.0141
Schistosoma mansoni hypothetical protein 0.0335 0.6757 1
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0113 0.0124
Echinococcus multilocularis thyroid hormone receptor alpha 0.0048 0.0654 0.0661
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.003 0.003
Echinococcus granulosus nuclear receptor nhr 48 0.0023 0.0113 0.0088
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0023 0.0113 0.0124
Loa Loa (eye worm) hypothetical protein 0.0025 0.0171 0.0171
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0094 0.0068
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0086 0.2107
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0094 0.0224
Brugia malayi nuclear hormone receptor 0.0023 0.0113 0.0083
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0094 0.0709
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.115 0.1187
Plasmodium vivax importin-beta 2, putative 0.0029 0.0249 0.8292
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0171 0.0141
Loa Loa (eye worm) DR-78 0.0023 0.0113 0.0113
Brugia malayi nuclear receptor NHR-88 0.0048 0.0654 0.0626
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0294 0.2725
Mycobacterium ulcerans putative regulatory protein 0.0108 0.1917 0.6588
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0094 0.0224
Echinococcus granulosus neuropeptide s receptor 0.0463 0.9468 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0783 0.0783
Brugia malayi ecdysteroid receptor 0.0048 0.0654 0.0626
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0154 0.2895 1
Leishmania major cytochrome p450-like protein 0.0028 0.0226 0.2018
Echinococcus multilocularis snurportin 1 0.0311 0.6242 0.6582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Brugia malayi bHLH-PAS transcription factor 0.0108 0.1917 0.1893
Echinococcus multilocularis lamin dm0 0.0054 0.0783 0.0798
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0094 0.2424
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0086 0.0574
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0094 0.0068
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Brugia malayi Importin beta-1 subunit 0.0029 0.0249 0.022
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0038 0.0433 0.0427
Schistosoma mansoni lamin 0.0054 0.0783 0.1119
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0048 0.0654 0.0661
Entamoeba histolytica hypothetical protein 0.0024 0.0132 0.0911
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0154 0.2895 1
Schistosoma mansoni RAR-like nuclear receptor 0.0048 0.0654 0.0928
Echinococcus granulosus geminin 0.0335 0.6757 0.7128
Schistosoma mansoni single-minded 0.0145 0.2721 0.4
Loa Loa (eye worm) hypothetical protein 0.0023 0.0113 0.0113
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0226 0.2018
Mycobacterium ulcerans hypothetical protein 0.0154 0.2895 1
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0038 0.0433 0.1407
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0048 0.0654 0.0661
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0294 0.2725
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0881 0.8774
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0086 0.2107
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0294 0.2725
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1 1
Schistosoma mansoni thyroid hormone receptor 0.0048 0.0654 0.0928
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0294 0.028
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0048 0.0654 0.0626
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0094 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0934 0.0958
Brugia malayi hypoxia-induced factor 1 0.045 0.9197 0.9194
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0294 0.028
Brugia malayi steroid hormone receptor 0.0048 0.0654 0.0626
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0294 0.028
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0171 0.5344
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0226 0.2018
Brugia malayi nuclear hormone receptor family member odr-7 0.0023 0.0113 0.0083
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0038 0.0433 0.4156
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1 1
Echinococcus multilocularis transfer RNA-Lys 0.0108 0.1917 0.2
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0025 0.0171 0.0171
Echinococcus multilocularis musashi 0.0054 0.0783 0.0798
Schistosoma mansoni aryl hydrocarbon receptor 0.0145 0.2721 0.4
Leishmania major importin beta-1 subunit, putative 0.0024 0.0132 0.1052
Leishmania major hypothetical protein, conserved 0.0025 0.0171 0.1457
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0022 0.0094 0.0224
Loa Loa (eye worm) hypothetical protein 0.0048 0.0654 0.0654
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0094 0.0095

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.02 nM In vitro growth inhibitory activity in the human CCRF-CEM leukemia cell line. ChEMBL. 12825938
IC50 (functional) = 0.02 nM In vitro growth inhibitory activity in the human CCRF-CEM leukemia cell line. ChEMBL. 12825938

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12825938

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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