Detailed information for compound 1127445

Basic information

Technical information
  • TDR Targets ID: 1127445
  • Name: 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propa noyl]amino]-1,3-thiazole-5-carboxylic acid
  • MW: 413.318 | Formula: C18H18Cl2N2O3S
  • H donors: 2 H acceptors: 4 LogP: 5.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(c1ccc(c(c1)Cl)Cl)CC1CCCC1)Nc1ncc(s1)C(=O)O
  • InChi: 1S/C18H18Cl2N2O3S/c19-13-6-5-11(8-14(13)20)12(7-10-3-1-2-4-10)16(23)22-18-21-9-15(26-18)17(24)25/h5-6,8-10,12H,1-4,7H2,(H,24,25)(H,21,22,23)
  • InChiKey: RKKJCQFKGLTEBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]thiazole-5-carboxylic acid
  • 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)-1-oxopropyl]amino]-5-thiazolecarboxylic acid

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
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3957 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0327 0.0825
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0327 0.0327
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.3957 0.3957
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3957 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3957 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0103 0.2364 1
Brugia malayi Protein kinase domain containing protein 0.0103 0.2364 0.2364
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0103 0.2364 1
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Echinococcus multilocularis tar DNA binding protein 0.0144 0.3957 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0103 0.2364 0.2364
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Echinococcus granulosus dual specificity 0.0103 0.2364 0.5974
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0103 0.2364 1
Trichomonas vaginalis glucosylceramidase, putative 0.0206 0.64 0.64
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0327 0.0825
Brugia malayi TAR-binding protein 0.0144 0.3957 0.3957
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0 0.5
Entamoeba histolytica protein kinase, putative 0.0103 0.2364 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0298 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0103 0.2364 1
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Entamoeba histolytica protein kinase domain containing protein 0.0103 0.2364 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0327 0.0825
Loa Loa (eye worm) TAR-binding protein 0.0144 0.3957 0.3957
Entamoeba histolytica protein kinase, putative 0.0103 0.2364 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0327 0.0825
Echinococcus multilocularis dual specificity 0.0103 0.2364 0.5974
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0327 0.0825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0327 0.0825
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.2343 0.2343
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Entamoeba histolytica hypothetical protein 0.0103 0.2364 1
Echinococcus granulosus tar DNA binding protein 0.0144 0.3957 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3957 1
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Brugia malayi RNA binding protein 0.0144 0.3957 0.3957
Trichomonas vaginalis glucosylceramidase, putative 0.0298 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0144 0.3957 0.3957
Loa Loa (eye worm) hypothetical protein 0.0102 0.2343 0.2343
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.3957 0.3957
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2364 0.5974
Onchocerca volvulus Glucosylceramidase homolog 0.0195 0.5987 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0327 0.0327
Trichomonas vaginalis glucosylceramidase, putative 0.0195 0.5987 0.5987
Schistosoma mansoni tar DNA-binding protein 0.0144 0.3957 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0327 0.0825
Trichomonas vaginalis glucosylceramidase, putative 0.0206 0.64 0.64

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 26 uM Activity of glucokinase assessed as stimulatory concentration required to increase 1.5 fold enzymatic activity ChEMBL. 20405948

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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