Detailed information for compound 147717

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 655.452 | Formula: C25H22F7N4O9-
  • H donors: 4 H acceptors: 9 LogP: 3.72 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-]C(=O)C(F)(F)F.OC(=O)C[C@H](C(=O)COc1c(F)c(F)cc(c1F)F)NC(=O)[C@H](C(C)C)NC(=O)C(=O)Nc1ccccn1
  • InChi: 1S/C23H22F4N4O7.C2HF3O2/c1-10(2)19(31-23(37)22(36)30-15-5-3-4-6-28-15)21(35)29-13(8-16(33)34)14(32)9-38-20-17(26)11(24)7-12(25)18(20)27;3-2(4,5)1(6)7/h3-7,10,13,19H,8-9H2,1-2H3,(H,29,35)(H,31,37)(H,33,34)(H,28,30,36);(H,6,7)/p-1/t13-,19-;/m0./s1
  • InChiKey: HYKQVZNZFJLSQQ-VCUOZSJQSA-M  


Substructure search Similarity search

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
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0027 0.0113 0.0813
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0023 0.0086 0.0402
Loa Loa (eye worm) hypothetical protein 0.05 0.3362 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0023 0.0086 0.0257
Brugia malayi Cytochrome P450 family protein 0.0036 0.0178 0.053
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0011 0.0007 0.0021
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0011 0.0007 0.0007
Onchocerca volvulus 0.05 0.3362 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0011 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0061 0.018
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0011 0.0007 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0027 0.0113 0.0813
Loa Loa (eye worm) CYP4Cod1 0.0036 0.0178 0.053
Treponema pallidum gamma-glutamyl phosphate reductase 0.0011 0.0007 0.5
Chlamydia trachomatis oxoacy-ACP reductase 0.0023 0.0086 0.0402
Loa Loa (eye worm) hypothetical protein 0.0236 0.155 0.4609
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0086 0.0606
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0178 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0023 0.0086 0.05
Loa Loa (eye worm) aldehyde dehydrogenase 0.0011 0.0007 0.0021
Echinococcus granulosus GPCR family 2 0.0019 0.0061 0.0061
Echinococcus multilocularis geminin 0.0563 0.3797 0.3797
Schistosoma mansoni aldehyde dehydrogenase 0.0202 0.1316 0.1316
Mycobacterium ulcerans short chain dehydrogenase 0.0023 0.0086 0.0606
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0013 0.0023 0.0123
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0027 0.0113 0.0813
Schistosoma mansoni hypothetical protein 0.0041 0.0211 0.0211
Echinococcus granulosus geminin 0.0563 0.3797 0.3797
Brugia malayi Cytochrome P450 family protein 0.0027 0.0113 0.0337
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0027 0.0113 0.0813
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0023 0.0086 0.0606
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0004 0.0012
Leishmania major cytochrome p450-like protein 0.0036 0.0178 0.1306
Mycobacterium tuberculosis Probable oxidoreductase 0.0013 0.0023 0.0123
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0242 0.1592 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0023 0.0123
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.0011 0.0007 0.0007
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0027 0.0113 0.0813
Brugia malayi CXXC zinc finger family protein 0.0034 0.0167 0.0497
Schistosoma mansoni aldehyde dehydrogenase 0.0011 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.006 0.0341 0.1014
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0061
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Trypanosoma brucei cytochrome P450, putative 0.0036 0.0178 1
Schistosoma mansoni aldehyde dehydrogenase 0.0011 0.0007 0.0007
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0027 0.0113 0.6222
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0061 0.0061
Schistosoma mansoni aldehyde dehydrogenase 0.0011 0.0007 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0027 0.0113 0.0813
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0086 0.0606
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0023 0.0123
Onchocerca volvulus 0.0034 0.0167 0.0497
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0061 0.0061
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0011 0.0007 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0341 0.1014
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0061 0.018
Echinococcus granulosus dnaJ subfamily B 0.049 0.3294 0.3294
Loa Loa (eye worm) cytochrome P450 0.0027 0.0113 0.0337
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0027 0.0113 0.0813
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Brugia malayi hypothetical protein 0.0236 0.155 0.4609
Loa Loa (eye worm) hypothetical protein 0.0169 0.1088 0.3236
Loa Loa (eye worm) hypothetical protein 0.0169 0.1088 0.3236
Brugia malayi hypothetical protein 0.05 0.3362 1
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0027 0.0113 0.0813
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0341 0.1014
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0027 0.0113 0.0813
Onchocerca volvulus Aldehyde dehydrogenase homolog 0.0011 0.0007 0.0021
Schistosoma mansoni cpg binding protein 0.0036 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0061
Trypanosoma brucei pteridine reductase 1 0.0013 0.0023 0.0945
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0027 0.0113 0.0813
Leishmania major cytochrome p450-like protein 0.0027 0.0113 0.0813
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0004 0.0004
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0023 0.0086 0.0086
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0023 0.0086 0.0257
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0242 0.1592 1
Brugia malayi Cytochrome P450 family protein 0.0036 0.0178 0.053
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0027 0.0113 0.0813
Leishmania major pteridine reductase 1 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0023 0.0086 0.0606
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0004 0.0004
Onchocerca volvulus 0.0023 0.0086 0.0257
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0027 0.0113 0.0813
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0011 0.0007 0.0007
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0023 0.0086 0.4636
Echinococcus multilocularis GPCR, family 2 0.0019 0.0061 0.0061
Schistosoma mansoni aldehyde dehydrogenase 0.0011 0.0007 0.0007
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0061 0.018
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0027 0.0113 0.0813
Echinococcus multilocularis microtubule associated protein 2 0.1467 1 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0027 0.0113 0.0813
Schistosoma mansoni microtubule-associated protein tau 0.1467 1 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0027 0.0113 0.0813
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0211 0.0628
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans aldehyde dehydrogenase 0.0202 0.1316 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0027 0.0113 0.0813
Loa Loa (eye worm) oxidoreductase 0.0023 0.0086 0.0257
Mycobacterium ulcerans short chain dehydrogenase 0.0023 0.0086 0.0606
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0013 0.0023 0.1519
Toxoplasma gondii beta-hydroxyacyl-acyl carrier protein dehydratase (FABZ) 0.0242 0.1592 0.2669
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0178 0.053
Trypanosoma brucei oxidoreductase-like protein 0.0013 0.0023 0.0945
Schistosoma mansoni cpg binding protein 0.0034 0.0167 0.0167
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0027 0.0113 0.0813
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0167 0.0497
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0027 0.0113 0.0813
Echinococcus multilocularis Protein lozenge 0.0063 0.0361 0.0361
Brugia malayi Cytochrome P450 family protein 0.0109 0.0676 0.2011
Schistosoma mansoni survival motor neuron protein 0.0048 0.0261 0.0261
Echinococcus multilocularis muscleblind protein 0.0169 0.1088 0.1088
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0013 0.0023 0.0123
Echinococcus granulosus cytochrome P450 2K1 0.0027 0.0113 0.0113
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0023 0.0123
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0023 0.0069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0202 0.1316 1
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Echinococcus multilocularis cpg binding protein 0.0036 0.018 0.018
Giardia lamblia Alcohol dehydrogenase 0.0011 0.0007 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0027 0.0113 0.0813
Schistosoma mansoni aldehyde dehydrogenase 0.0011 0.0007 0.0007
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0027 0.0113 0.0813
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.0011 0.0007 0.0007
Mycobacterium leprae Conserved hypothetical protein 0.0027 0.0113 1
Echinococcus multilocularis 0.0027 0.0113 0.0113
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Schistosoma mansoni hypothetical protein 0.0048 0.0261 0.0261
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0202 0.1316 1
Schistosoma mansoni hypothetical protein 0.049 0.3294 0.3294
Trypanosoma cruzi cytochrome P450, putative 0.0036 0.0178 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0027 0.0113 0.0813
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0013 0.0023 0.0027
Loa Loa (eye worm) cytochrome P450 family protein 0.0109 0.0676 0.2011
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0027 0.0113 0.0813
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0027 0.0113 0.0813
Toxoplasma gondii cytochrome p450 superfamily protein 0.0027 0.0113 0.0179
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0023 0.0069
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0027 0.0113 0.0813
Mycobacterium ulcerans oxidoreductase 0.0023 0.0086 0.0606
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0563 0.3797 0.3797
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0023 0.0086 0.4636
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0027 0.0113 0.6222
Brugia malayi Aldehyde dehydrogenase protein 4 0.0011 0.0007 0.0021
Brugia malayi Muscleblind-like protein 0.0169 0.1088 0.3236
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0013 0.0023 0.0027
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0013 0.0023 0.0123
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0011 0.0007 0.0021
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0023 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0178 0.053
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0027 0.0113 0.0813
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0027 0.0113 0.0813
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0086 0.0606
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0378 0.0625
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0003 0.0009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0341 0.1014
Mycobacterium tuberculosis Possible oxidoreductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Mycobacterium ulcerans short chain dehydrogenase 0.0023 0.0086 0.0606
Echinococcus multilocularis dnaJ subfamily B 0.049 0.3294 0.3294
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0027 0.0113 0.6222
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0027 0.0113 0.0813
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0027 0.0113 0.0813
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0011 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0061
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0023 0.0086 0.0086
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0027 0.0113 0.0813
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0023 0.0086 1
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0013 0.0023 0.0027
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0023 0.0086 0.0606
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0023 0.0086 0.0086
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0027 0.0113 0.0813
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0036 0.0178 0.1306
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Loa Loa (eye worm) hypothetical protein 0.05 0.3362 1
Schistosoma mansoni cytochrome P450 0.0027 0.0113 0.0113
Brugia malayi cytochrome P450 0.0027 0.0113 0.0337
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0011 0.0007 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0202 0.1316 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0432 0.0432
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0027 0.0113 0.0813
Onchocerca volvulus 0.0048 0.0261 0.0776
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.155 0.155
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0023 0.0086 0.0402
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0069
Brugia malayi aldehyde dehydrogenase 0.0011 0.0007 0.0021
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0023 0.0086 0.0606
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0877 0.5947 1
Schistosoma mansoni hypothetical protein 0.0563 0.3797 0.3797
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0202 0.1316 0.1316
Schistosoma mansoni lozenge 0.0063 0.0361 0.0361
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0027 0.0113 0.0813
Echinococcus granulosus muscleblind protein 0.0169 0.1088 0.1088
Mycobacterium ulcerans short chain dehydrogenase 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0027 0.0113 0.0813
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.155 0.155
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0027 0.0113 0.0813
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0242 0.1592 1
Trichomonas vaginalis hypothetical protein 0.0013 0.0023 1
Leishmania major cytochrome p450-like protein 0.0027 0.0113 0.0813
Schistosoma mansoni hypothetical protein 0.0011 0.0007 0.0007
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0013 0.0023 0.0945
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0023 0.0086 0.0606
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0202 0.1316 0.1316
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0013 0.0023 0.0123
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0027 0.0113 0.6222
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0011 0.0007 0.0021
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0027 0.0113 0.0813
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0023 0.0086 0.0606
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0061
Echinococcus multilocularis muscleblind protein 1 0.0169 0.1088 0.1088
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0061 0.018
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0027 0.0113 0.0813
Loa Loa (eye worm) runx1 0.0063 0.0361 0.1074
Onchocerca volvulus 0.0013 0.0023 0.0069
Schistosoma mansoni cpg binding protein 0.0036 0.018 0.018
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0013 0.0023 0.0123
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0027 0.0113 0.0813
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0023 0.0086 0.0133
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0027 0.0113 0.0813
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0013 0.0023 0.0123
Mycobacterium leprae putative cytochrome p450 0.0027 0.0113 1
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0023 0.0086 0.7451
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0027 0.0113 0.0813
Mycobacterium tuberculosis Possible oxidoreductase 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0027 0.0113 0.0813
Toxoplasma gondii aldehyde dehydrogenase 0.0202 0.1316 0.2204
Schistosoma mansoni aldehyde dehydrogenase 0.0202 0.1316 0.1316
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0011 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0021
Schistosoma mansoni hypothetical protein 0.0027 0.0113 0.0113
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0202 0.1316 1
Echinococcus granulosus cpg binding protein 0.0036 0.018 0.018
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0011 0.0007 0.0007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0041 0.0211 0.0628
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0013 0.0023 0.0123
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0027 0.0113 0.0813
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0261 0.0776
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0242 0.1592 1
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0013 0.0023 0.0102
Echinococcus granulosus betaine aldehyde dehydrogenase 0.0011 0.0007 0.0007
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0023 0.0086 0.4636
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0013 0.0023 0.1519
Leishmania major oxidoreductase-like protein 0.0013 0.0023 0.0123

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.14 uM Inhibitory activity evaluated against human jurkat cell line in cellular assay ChEMBL. 15109679
IC50 (functional) = 1.43 uM Inhibitory activity evaluated against human THP-1 cell line in cellular assay ChEMBL. 15109679
IC50 (functional) = 2.2 uM Inhibitory activity of the compound was evaluated against human SKW 6.4 cell line in cellular assay ChEMBL. 15109679
IC50 (functional) = 9.4 uM Inhibitory activity evaluated against rat Con A embryonic cortical neurons in cellular assay ChEMBL. 15109679
k3/Ki (binding) = 22030 M-1 s-1 Binding affinity towards mouse Caspase-1 ChEMBL. 15109679
k3/Ki (binding) = 42243 M-1 s-1 Binding affinity towards human caspase 8 ChEMBL. 15109679
k3/Ki (binding) = 64055 M-1 s-1 Binding affinity towards human Caspase-6 ChEMBL. 15109679
k3/Ki (binding) = 117608 M-1 s-1 Binding affinity towards human caspase 3 ChEMBL. 15109679

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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