Detailed information for compound 446907

Basic information

Technical information
  • TDR Targets ID: 446907
  • Name: 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-qu inolin-2-one
  • MW: 338.811 | Formula: C18H11ClN2OS
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1scc(n1)c1cc2ccccc2[nH]c1=O
  • InChi: 1S/C18H11ClN2OS/c19-13-6-3-5-12(8-13)18-21-16(10-23-18)14-9-11-4-1-2-7-15(11)20-17(14)22/h1-10H,(H,20,22)
  • InChiKey: JDVSCCPZTVOURL-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[2-(3-chlorophenyl)thiazol-4-yl]-1H-quinolin-2-one
  • 3-[2-(3-chlorophenyl)-4-thiazolyl]-1H-quinolin-2-one
  • 3-[2-(3-chlorophenyl)thiazol-4-yl]carbostyril

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cyclin-dependent kinase 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium falciparum protein kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium yoelii cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium vivax protein kinase Crk2 Get druggable targets OG5_126712 All targets in OG5_126712
Babesia bovis cell division control protein 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Giardia lamblia Kinase, CMGC CDK Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium knowlesi Cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi cell division control protein 2 homolog Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cell division protein kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02087 cyclin-dependent kinase 1, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma japonicum ko:K02090 cyclin-dependent kinase 5, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Plasmodium berghei cdc2-related kinase 2 Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 5 Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium hominis cdc2-like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative Get druggable targets OG5_126712 All targets in OG5_126712
Candida albicans Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Neospora caninum CMGC kinase, CDK family TgPK2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei gambiense cell division related protein kinase 2, putative,CDC2-related protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma congolense cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania donovani cdc2-related kinase 3, putative Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma cruzi cdc2-related kinase 3 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania infantum cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Theileria parva cell division control protein 2 related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania braziliensis cell division related protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Cryptosporidium parvum Cdc2-like CDK2/CDC28 like protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania mexicana cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Leishmania major cell division protein kinase 2,cdc2-related kinase Get druggable targets OG5_126712 All targets in OG5_126712
Entamoeba histolytica cell division protein kinase 2, putative Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126712 All targets in OG5_126712
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus granulosus cyclin dependent kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase Get druggable targets OG5_126712 All targets in OG5_126712
Echinococcus multilocularis cyclin dependent kinase Get druggable targets OG5_126712 All targets in OG5_126712
Trypanosoma brucei cdc2-related kinase 1 Get druggable targets OG5_126712 All targets in OG5_126712

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 cyclin-dependent kinase 5 260 aa 307 aa 28.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica prolyl oligopeptidase family protein 0.014 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0506 0.2791 0.2791
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0367 0.1737 0.1737
Entamoeba histolytica prolyl oligopeptidase family protein 0.014 0 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0939 0.6095 1
Toxoplasma gondii prolyl endopeptidase 0.0367 0.1737 0.6223
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0506 0.2791 1
Trypanosoma cruzi oligopeptidase b 0.0214 0.0568 0.2036
Trypanosoma brucei prolyl endopeptidase 0.0367 0.1737 0.6223
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0939 0.6095 1
Echinococcus granulosus prolyl endopeptidase 0.0367 0.1737 0.1737
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0506 0.2791 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0939 0.6095 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0367 0.1737 0.1737
Trypanosoma brucei prolyl oligopeptidase, putative 0.0214 0.0568 0.2036
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0506 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0366 0.1726 0.1726
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.014 0 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.014 0 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0939 0.6095 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0939 0.6095 1
Loa Loa (eye worm) prolyl oligopeptidase 0.1451 1 1
Trichomonas vaginalis conserved hypothetical protein 0.014 0 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0506 0.2791 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1451 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0506 0.2791 1
Brugia malayi hypothetical protein 0.0366 0.1726 0.1726
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0939 0.6095 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0214 0.0568 0.2036
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0506 0.2791 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.014 0 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0214 0.0568 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0214 0.0568 0.2036
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1451 1 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0939 0.6095 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.014 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0506 0.2791 0.2791
Trypanosoma cruzi oligopeptidase b 0.0214 0.0568 0.2036
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1451 1 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0367 0.1737 0.5258
Brugia malayi prolyl oligopeptidase family protein 0.0506 0.2791 0.2791
Echinococcus multilocularis prolyl endopeptidase 0.0367 0.1737 0.1737
Brugia malayi prolyl oligopeptidase family protein 0.0367 0.1737 0.1737
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0214 0.0568 0.2036
Echinococcus granulosus Dipeptidyl peptidase 9 0.0506 0.2791 0.2791
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0228 0.0672 0.0189
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1451 1 1
Trypanosoma brucei oligopeptidase b 0.0214 0.0568 0.2036
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0939 0.6095 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0367 0.1737 0.6223
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0367 0.1737 0.1737
Entamoeba histolytica hypothetical protein, conserved 0.014 0 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.014 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of human CDK5/p25 by HTRF assay ChEMBL. 17709247
IC50 (binding) > 10000 nM Inhibition of human CDK5/p25 by HTRF assay ChEMBL. 17709247

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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