Detailed information for compound 517643

Basic information

Technical information
  • TDR Targets ID: 517643
  • Name: 8-(2,3-dihydro-1H-inden-5-yl)-2-(3-imidazol-1 -ylpropylamino)-5-oxopyrido[2,3-d]pyrimidine- 6-carboxamide
  • MW: 429.474 | Formula: C23H23N7O2
  • H donors: 2 H acceptors: 5 LogP: 2.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cn(c2ccc3c(c2)CCC3)c2c(c1=O)cnc(n2)NCCCn1cncc1
  • InChi: 1S/C23H23N7O2/c24-21(32)19-13-30(17-6-5-15-3-1-4-16(15)11-17)22-18(20(19)31)12-27-23(28-22)26-7-2-9-29-10-8-25-14-29/h5-6,8,10-14H,1-4,7,9H2,(H2,24,32)(H,26,27,28)
  • InChiKey: MGRJMAGYOCJHLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-imidazol-1-ylpropylamino)-8-indan-5-yl-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide
  • 2-[3-(1-imidazolyl)propylamino]-8-(5-indanyl)-5-oxo-6-pyrido[2,3-d]pyrimidinecarboxamide
  • 8-(2,3-dihydro-1H-inden-5-yl)-2-(3-imidazol-1-ylpropylamino)-5-oxo-pyrido[2,3-d]pyrimidine-6-carboxamide
  • 2-(3-imidazol-1-ylpropylamino)-8-indan-5-yl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxamide
  • 8-(2,3-dihydro-1H-inden-5-yl)-2-(3-imidazol-1-ylpropylamino)-5-oxopyrido[6,5-d]pyrimidine-6-carboxamide
  • 2-(3-imidazol-1-ylpropylamino)-8-indan-5-yl-5-oxo-pyrido[6,5-d]pyrimidine-6-carboxamide
  • 2-[3-(1-imidazolyl)propylamino]-8-(5-indanyl)-5-oxo-6-pyrido[6,5-d]pyrimidinecarboxamide
  • 2-(3-imidazol-1-ylpropylamino)-8-indan-5-yl-5-keto-pyrido[6,5-d]pyrimidine-6-carboxamide
  • 8-(2,3-dihydro-1H-inden-5-yl)-2-(3-imidazol-1-ylpropylamino)-5-oxo-pyrido[6,5-d]pyrimidine-6-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens colony stimulating factor 1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
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
Entamoeba histolytica protein kinase, putative 0.0105 0.0548 1
Schistosoma mansoni tyrosine kinase 0.063 0.4429 0.4376
Schistosoma mansoni tyrosine kinase 0.0617 0.4337 0.4283
Echinococcus multilocularis PAK box P21 Rho binding 0.0063 0.0234 0.0009
Entamoeba histolytica p21-activated kinase 0.0105 0.0548 1
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0044 0.0094 0.0094
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.033 0.2212 0.2145
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0105 0.0548 0.0468
Trichomonas vaginalis STE family protein kinase 0.0063 0.0234 0.3086
Echinococcus multilocularis epidermal growth factor receptor 0.063 0.4429 0.43
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0105 0.0548 0.0331
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0061 0.0225 0.0142
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0044 0.0094 0.0094
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0105 0.0548 0.0468
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0512 0.3561 0.3506
Echinococcus granulosus epidermal growth factor receptor 0.063 0.4429 0.4381
Schistosoma mansoni hypothetical protein 0.0061 0.0225 0.0133
Schistosoma mansoni tyrosine kinase 0.063 0.4429 0.4376
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0392 0.2666 0.2666
Brugia malayi Protein kinase domain 0.0105 0.0548 0.0548
Entamoeba histolytica protein kinase, putative 0.0063 0.0234 0.0277
Echinococcus granulosus epidermal growth factor receptor 0.063 0.4429 0.4381
Entamoeba histolytica protein kinase, putative 0.0063 0.0234 0.0277
Brugia malayi P21-Rho-binding domain containing protein 0.0061 0.0225 0.0225
Schistosoma mansoni tyrosine kinase 0.0074 0.0317 0.0225
Schistosoma mansoni protein kinase 0.0105 0.0548 0.0459
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0061 0.0225 0.0142
Schistosoma mansoni hypothetical protein 0.0061 0.0225 0.0133
Schistosoma mansoni protein kinase 0.0063 0.0234 0.0142
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0105 0.0548 0.0331
Trichomonas vaginalis STE family protein kinase 0.0105 0.0548 1
Giardia lamblia Kinase, STE STE20 0.0105 0.0548 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.063 0.4429 0.4381
Trypanosoma cruzi p21-activated kinase 3, putative 0.0044 0.0094 0.5
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0105 0.0548 0.0331
Loa Loa (eye worm) hypothetical protein 0.0753 0.5342 0.5342
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0044 0.0094 0.5
Schistosoma mansoni protein kinase 0.0061 0.0225 0.0133
Schistosoma mansoni tyrosine kinase 0.1383 1 1
Brugia malayi serine/threonine-protein kinase PAK 7 0.0392 0.2666 0.2666
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1383 1 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1383 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.063 0.4429 0.43
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0061 0.0225 0.0225
Schistosoma mansoni tyrosine kinase 0.0617 0.4337 0.4283
Trichomonas vaginalis STE family protein kinase 0.0105 0.0548 1
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.033 0.2212 0.2032
Loa Loa (eye worm) hypothetical protein 0.0104 0.054 0.054
Trichomonas vaginalis STE family protein kinase 0.0105 0.0548 1
Brugia malayi WH1 domain containing protein 0.0061 0.0225 0.0225
Schistosoma mansoni tyrosine kinase 0.0617 0.4337 0.4283
Loa Loa (eye worm) TK/EGFR protein kinase 0.063 0.4429 0.4429
Schistosoma mansoni tyrosine kinase 0.1383 1 1
Echinococcus granulosus insulin receptor 0.1383 1 1
Brugia malayi Protein kinase domain containing protein 0.0766 0.5433 0.5433
Echinococcus multilocularis insulin receptor 0.1383 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.0317 0.0225
Schistosoma mansoni tyrosine kinase 0.063 0.4429 0.4376
Entamoeba histolytica protein kinase, putative 0.0063 0.0234 0.0277
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0044 0.0094 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.054 0.9803
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0061 0.0225 0.0133
Echinococcus granulosus PAK box P21 Rho binding 0.0061 0.0225 0.0142
Brugia malayi Furin-like cysteine rich region family protein 0.063 0.4429 0.4429
Schistosoma mansoni protein kinase 0.0105 0.0548 0.0459
Schistosoma mansoni hypothetical protein 0.0061 0.0225 0.0133
Echinococcus multilocularis 0.0181 0.1106 0.0901
Trichomonas vaginalis STE family protein kinase 0.0105 0.0548 1
Loa Loa (eye worm) TK/INSR protein kinase 0.1383 1 1
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0105 0.0548 0.0468
Brugia malayi P21-Rho-binding domain containing protein 0.0061 0.0225 0.0225

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 Inhibition of CSF1-induced proliferation of mouse bone marrow derived macrophages ChEMBL. 18342505
IC50 (binding) = 2.3 uM Inhibition of ATP-induced CSF1R (unknown origin) autophosphorylation ChEMBL. 18342505
IC50 (binding) = 2.3 uM Inhibition of ATP-induced CSF1R (unknown origin) autophosphorylation ChEMBL. 18342505

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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