Detailed information for compound 503215

Basic information

Technical information
  • TDR Targets ID: 503215
  • Name: 2-(2-aminopyrimidin-4-yl)-1-(2-fluoroethyl)-6 ,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
  • MW: 275.282 | Formula: C13H14FN5O
  • H donors: 2 H acceptors: 3 LogP: -0.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCn1c(cc2c1CCNC2=O)c1ccnc(n1)N
  • InChi: 1S/C13H14FN5O/c14-3-6-19-10-2-5-16-12(20)8(10)7-11(19)9-1-4-17-13(15)18-9/h1,4,7H,2-3,5-6H2,(H,16,20)(H2,15,17,18)
  • InChiKey: AOWKJWLAHRQUIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-amino-4-pyrimidinyl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
  • 2-(2-azanylpyrimidin-4-yl)-1-(2-fluoroethyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cell division cycle 7 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Loa Loa (eye worm) CDC7 protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus granulosus CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma japonicum ko:K02214 cell division control protein CDC7, putative Get druggable targets OG5_129189 All targets in OG5_129189
Echinococcus multilocularis CDC7 cell division cycle 7 Get druggable targets OG5_129189 All targets in OG5_129189
Candida albicans protein serine/threonine kinase Get druggable targets OG5_129189 All targets in OG5_129189
Onchocerca volvulus Get druggable targets OG5_129189 All targets in OG5_129189
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129189 All targets in OG5_129189
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129189 All targets in OG5_129189
Giardia lamblia Kinase, CDC7 Get druggable targets OG5_129189 All targets in OG5_129189
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 CMGC family protein kinase 0.0069 0 0.5
Schistosoma mansoni jun-related protein 0.0076 0.2799 1
Onchocerca volvulus 0.0073 0.1746 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0093 1 1
Echinococcus multilocularis jun protein 0.0093 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0069 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0093 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.8946 1
Brugia malayi hypothetical protein 0.0073 0.1746 0.1746
Giardia lamblia Kinase, CDC7 0.0069 0 0.5
Echinococcus granulosus jun protein 0.0093 1 1
Schistosoma mansoni hypothetical protein 0.0076 0.2799 1
Trichomonas vaginalis CMGC family protein kinase 0.0069 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.003 uM Inhibition of human Cdc7 ChEMBL. 18201066
IC50 (binding) = 0.003 uM Inhibition of human Cdc7 ChEMBL. 18201066

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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