Detailed information for compound 738903

Basic information

Technical information
  • TDR Targets ID: 738903
  • Name: 2,4-dichloro-N-[6,6-dimethyl-2,4-dioxo-1-(pyr idin-3-ylmethyl)-3-(trifluoromethyl)-5,7-dihy droindol-3-yl]benzamide
  • MW: 526.335 | Formula: C24H20Cl2F3N3O3
  • H donors: 1 H acceptors: 4 LogP: 4.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)NC1(C(=O)N(C2=C1C(=O)CC(C2)(C)C)Cc1cccnc1)C(F)(F)F
  • InChi: 1S/C24H20Cl2F3N3O3/c1-22(2)9-17-19(18(33)10-22)23(24(27,28)29,21(35)32(17)12-13-4-3-7-30-11-13)31-20(34)15-6-5-14(25)8-16(15)26/h3-8,11H,9-10,12H2,1-2H3,(H,31,34)
  • InChiKey: UFJCIRSXDKHYSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-N-[6,6-dimethyl-2,4-dioxo-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
  • 2,4-dichloro-N-[2,4-diketo-6,6-dimethyl-1-(3-pyridylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
  • CBKinase1_022252
  • CBKinase1_009852

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 granulosus neutral alpha glucosidase AB 0.0038 0.023 0.023
Schistosoma mansoni hypothetical protein 0.0171 0.2458 0.4578
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0466 0.5
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.048 0.048
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.092 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.023 0.0518
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0345 0.5369 0.5369
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.029 0.4441 0.4441
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.023 0.4797
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0397 0.0397
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0466 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.023 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.2037 0.3795
Trypanosoma brucei protein kinase, putative 0.0053 0.048 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.004 0.0091
Brugia malayi MAP kinase sur-1 0.0053 0.048 0.048
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.048 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.023 0.0518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0397 0.0397
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.2431 0.2431
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.023 0.2501
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Trypanosoma brucei glucosidase, putative 0.0038 0.023 0.4797
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.048 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0397 0.0739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0397 0.0397
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0466 0.4744
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.048 0.048
Schistosoma mansoni alpha glucosidase 0.0038 0.023 0.0429
Echinococcus multilocularis geminin 0.0171 0.2458 0.2458
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.023 0.023
Toxoplasma gondii hypothetical protein 0.0027 0.0056 0.0614
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.023 0.4797
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Onchocerca volvulus Glucosylceramidase homolog 0.019 0.2777 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0079 0.092 0.092
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.023 0.0518
Schistosoma mansoni importin beta-1 0.0032 0.0143 0.0266
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.2431 0.2431
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.023 0.0518
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.048 0.5213
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.092 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0397 0.0397
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.023 1
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0143 0.155
Entamoeba histolytica hypothetical protein 0.0026 0.004 0.1758
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.023 0.0518
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.004 0.0091
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.023 0.4797
Schistosoma mansoni alpha-glucosidase 0.0146 0.2037 0.3795
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0466 0.0466
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.023 0.0518
Loa Loa (eye worm) hypothetical protein 0.0032 0.0143 0.0143
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0056 0.0614
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.023 0.023
Trichomonas vaginalis glucosylceramidase, putative 0.029 0.4441 1
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.2998 0.5583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0397 0.0739
Echinococcus granulosus cyclin dependent kinase 6 0.0203 0.2998 0.2998
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.048 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 1
Leishmania major importin beta-1 subunit, putative 0.0026 0.004 0.0843
Echinococcus granulosus geminin 0.0171 0.2458 0.2458
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0397 0.0397
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.048 0.048
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.092 0.1714
Echinococcus granulosus muscleblind protein 0.0622 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.2431 0.2431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0397 0.0739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0397 0.0397
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.2431 0.2431
Loa Loa (eye worm) hypothetical protein 0.0622 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.092 0.092
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.023 0.0518
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.048 0.108
Schistosoma mansoni hypothetical protein 0.0345 0.5369 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.023 0.0518
Brugia malayi Importin beta-1 subunit 0.0032 0.0143 0.0143
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.004 0.0091
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.029 0.4441 0.4441
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.048 0.048
Echinococcus multilocularis muscleblind protein 0.0622 1 1
Echinococcus multilocularis snurportin 1 0.0345 0.5369 0.5369
Loa Loa (eye worm) hypothetical protein 0.0622 1 1
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0143 0.0143
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0143 0.2973
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.023 0.0518
Schistosoma mansoni hypothetical protein 0.0171 0.2458 0.4578
Echinococcus granulosus importin subunit beta 1 0.0032 0.0143 0.0143
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.048 0.0894
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.048 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.004 0.0843
Brugia malayi Probable ClpP-like protease 0.0079 0.092 0.092
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.048 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.023 0.023
Plasmodium falciparum importin beta, putative 0.0032 0.0143 0.155
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0466 0.0466
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0143 0.2973
Echinococcus multilocularis muscleblind protein 1 0.0622 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.092 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.2948 0.6638
Brugia malayi RNA, U transporter 1 0.0092 0.1139 0.1139
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.2948 0.6638
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.2431 0.2431
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.048 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.048 0.108
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.092 1
Echinococcus multilocularis cyclin dependent kinase 6 0.0203 0.2998 0.2998
Trichomonas vaginalis glucosylceramidase, putative 0.019 0.2777 0.6253
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.092 0.092
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.048 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.048 1
Plasmodium vivax importin-beta 2, putative 0.0032 0.0143 0.155
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.092 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.048 0.108
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.048 0.108
Echinococcus granulosus snurportin 1 0.0345 0.5369 0.5369
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0056 0.0614

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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