Detailed information for compound 317465

Basic information

Technical information
  • TDR Targets ID: 317465
  • Name: 2-anilino-6-(2-chlorophenyl)-5,8-dimethylpyri do[2,3-d]pyrimidin-7-one
  • MW: 376.839 | Formula: C21H17ClN4O
  • H donors: 1 H acceptors: 3 LogP: 4.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1c(C)c2cnc(nc2n(c1=O)C)Nc1ccccc1
  • InChi: 1S/C21H17ClN4O/c1-13-16-12-23-21(24-14-8-4-3-5-9-14)25-19(16)26(2)20(27)18(13)15-10-6-7-11-17(15)22/h3-12H,1-2H3,(H,23,24,25)
  • InChiKey: KLVWKXUEBJTGFR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-anilino-6-(2-chlorophenyl)-5,8-dimethyl-pyrido[2,3-d]pyrimidin-7-one
  • 2-anilino-6-(2-chlorophenyl)-5,8-dimethyl-7-pyrido[2,3-d]pyrimidinone
  • 6-(2-chlorophenyl)-5,8-dimethyl-2-phenylazanyl-pyrido[2,3-d]pyrimidin-7-one
  • 6-(2-chlorophenyl)-5,8-dimethyl-2-(phenylamino)pyrido[6,5-d]pyrimidin-7-one
  • 6-(2-chlorophenyl)-5,8-dimethyl-2-(phenylamino)-7-pyrido[6,5-d]pyrimidinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens WEE1 G2 checkpoint kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania braziliensis protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania donovani Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania infantum protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania donovani protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma congolense Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma brucei wee1-like protein kinase Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
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
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0521 0.0976 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0521 0.0976 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0521 0.0976 0.5
Loa Loa (eye worm) hypothetical protein 0.1111 1 1
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.1111 1 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.1111 1 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0521 0.0976 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.1111 1 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.1111 1 0.5
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.1111 1 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.1111 1 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1111 1 0.5
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.1111 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.41 uM Inhibition of checkpoint kinase Wee1 ChEMBL. 15780636
IC50 (binding) = 0.41 uM Inhibition of checkpoint kinase Wee1 ChEMBL. 15780636
IC50 (binding) > 50 uM Inhibition of c-Src tyrosine kinase ChEMBL. 15780636

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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