Detailed information for compound 1375756

Basic information

Technical information
  • TDR Targets ID: 1375756
  • Name: N-[6,6-dimethyl-2,4-dioxo-1-(pyridin-3-ylmeth yl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl ]pyridine-3-carboxamide
  • MW: 458.433 | Formula: C23H21F3N4O3
  • H donors: 1 H acceptors: 5 LogP: 1.88 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1cccnc1)C(F)(F)F
  • InChi: 1S/C23H21F3N4O3/c1-21(2)9-16-18(17(31)10-21)22(23(24,25)26,29-19(32)15-6-4-8-28-12-15)20(33)30(16)13-14-5-3-7-27-11-14/h3-8,11-12H,9-10,13H2,1-2H3,(H,29,32)
  • InChiKey: YXWIINFMPNXYSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
  • N-[6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-pyridinecarboxamide
  • N-[2,4-diketo-6,6-dimethyl-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]nicotinamide
  • A3379/0143367
  • SMR000130058
  • MLS000519640

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans short chain dehydrogenase 0.0086 0.0683 0.0683
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0128 0.1879
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0035 0.0508
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0013 0.0035 0.0035
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Brugia malayi Cytochrome P450 family protein 0.0013 0.0035 0.0574
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.041 0.6788
Mycobacterium tuberculosis Possible oxidoreductase 0.0077 0.0604 0.0604
Trypanosoma brucei oxidoreductase-like protein 0.0086 0.0683 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1139 1 1
Onchocerca volvulus 0.0077 0.0604 0.8847
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0013 0.0035 0.0035
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.041 0.6788
Giardia lamblia Reductase, putative 0.0009 0 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Trichomonas vaginalis hypothetical protein 0.1139 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0013 0.0035 0.0508
Mycobacterium tuberculosis Probable oxidoreductase 0.0086 0.0683 0.0683
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0013 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.041 0.6788
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0077 0.0604 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0013 0.0035 0.0035
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0295 0.2531 0.2531
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0077 0.0604 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Loa Loa (eye worm) oxidoreductase 0.0077 0.0604 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0077 0.0604 0.8847
Loa Loa (eye worm) retinol dehydrogenase 12 0.0077 0.0604 1
Mycobacterium ulcerans oxidoreductase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0013 0.0035 0.0035
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0013 0.0035 0.0035
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0077 0.0604 0.0604
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1139 1 1
Brugia malayi Cytochrome P450 family protein 0.0023 0.0128 0.2124
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0013 0.0035 0.0035
Toxoplasma gondii cytochrome p450 superfamily protein 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0013 0.0035 0.0035
Brugia malayi cytochrome P450 0.0013 0.0035 0.0574
Leishmania major cytochrome p450-like protein 0.0023 0.0128 0.1879
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0077 0.0604 0.0604
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.041 0.6788
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0077 0.0604 0.8847
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0128 0.2124
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0077 0.0604 0.8847
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0077 0.0604 0.0604
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1139 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0086 0.0683 0.0683
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.041 0.6788
Brugia malayi Cytochrome P450 family protein 0.0023 0.0128 0.2124
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0077 0.0604 0.0604
Mycobacterium leprae putative cytochrome p450 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0013 0.0035 0.0035
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0013 0.0035 0.0035
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.041 0.6788
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0013 0.0035 0.0508
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0013 0.0035 0.0035
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0128 0.1879
Trypanosoma brucei pteridine reductase 1 0.0077 0.0604 0.8847
Echinococcus multilocularis 0.0013 0.0035 0.0574
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0077 0.0604 0.0604
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.041 0.6788
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0013 0.0035 0.0035
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0128 0.0128
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0128 0.1879
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0077 0.0604 0.0604
Giardia lamblia Hypothetical protein 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0013 0.0035 0.0035
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0077 0.0604 0.8847
Giardia lamblia Short-chain dehydrogenase, putative 0.0009 0 0.5
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0013 0.0035 0.0035
Leishmania major pteridine reductase 1 0.0086 0.0683 1
Schistosoma mansoni dihydropteridine reductase 0.0077 0.0604 1
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0077 0.0604 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0013 0.0035 0.0035
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0077 0.0604 1
Schistosoma mansoni hypothetical protein 0.0013 0.0035 0.0574
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.041 0.6788
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1139 1 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0077 0.0604 0.8847
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Leishmania major oxidoreductase-like protein 0.0086 0.0683 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0013 0.0035 0.0035
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0086 0.0683 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0077 0.0604 0.0604
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0013 0.0035 0.0508
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0077 0.0604 0.0604
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1139 1 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Possible oxidoreductase 0.0077 0.0604 0.0604
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0013 0.0035 0.0035
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0128 0.2124
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0246
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0013 0.0035 0.0035
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0077 0.0604 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0086 0.0683 0.0683
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0077 0.0604 0.0604
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1139 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0086 0.0683 0.0683
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0013 0.0035 0.0035
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0077 0.0604 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0013 0.0035 0.0035
Leishmania major cytochrome p450-like protein 0.0013 0.0035 0.0508
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0013 0.0035 0.0035
Echinococcus granulosus cytochrome P450 2K1 0.0013 0.0035 0.0574
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0013 0.0035 0.0035
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0442 0.7325
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0077 0.0604 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.0442 0.7325
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0013 0.0035 0.0035
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0077 0.0604 0.8847
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0077 0.0604 0.0604
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0077 0.0604 0.0604
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0013 0.0035 0.0508
Loa Loa (eye worm) cytochrome P450 0.0013 0.0035 0.0574
Leishmania major cytochrome p450-like protein 0.0013 0.0035 0.0508
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0128 0.2124
Loa Loa (eye worm) hypothetical protein 0.0077 0.0604 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.041 0.6788
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0077 0.0604 0.0604
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0013 0.0035 0.0035
Schistosoma mansoni cytochrome P450 0.0013 0.0035 0.0574
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0013 0.0035 0.0035
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0013 0.0035 0.0035
Mycobacterium leprae Conserved hypothetical protein 0.0013 0.0035 0.0035
Onchocerca volvulus 0.0086 0.0683 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0013 0.0035 0.0035
Plasmodium falciparum enoyl-acyl carrier reductase 0.1139 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0086 0.0683 0.0683
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0013 0.0035 0.0035
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0013 0.0035 0.0035
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium ulcerans short chain dehydrogenase 0.0077 0.0604 0.0604
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0013 0.0035 0.0035
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0013 0.0035 0.0035

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.079432823 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 28.18382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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