Detailed information for compound 1512817

Basic information

Technical information
  • TDR Targets ID: 1512817
  • Name: N-(3-methoxyphenyl)-N'-quinolin-3-ylpyrimidin e-2,4-diamine
  • MW: 343.382 | Formula: C20H17N5O
  • H donors: 2 H acceptors: 3 LogP: 4.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Nc1nccc(n1)Nc1cnc2c(c1)cccc2
  • InChi: 1S/C20H17N5O/c1-26-17-7-4-6-15(12-17)24-20-21-10-9-19(25-20)23-16-11-14-5-2-3-8-18(14)22-13-16/h2-13H,1H3,(H2,21,23,24,25)
  • InChiKey: ABWMYRMKIDRAMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-methoxyphenyl)-N'-(3-quinolyl)pyrimidine-2,4-diamine
  • [2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-(3-quinolyl)amine
  • N-(3-methoxyphenyl)-N'-quinolin-3-yl-pyrimidine-2,4-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens insulin-like growth 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 insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) TK/INSR protein kinase Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K04527 insulin receptor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
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 conserved hypothetical protein 0.0149 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.0437 0.0437
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0437 0.5
Brugia malayi MBOAT family protein 0.0149 0.0437 0.8741
Toxoplasma gondii PAN domain-containing protein 0.0892 0.559 1
Entamoeba histolytica vacuolar protein sorting 26 0.0149 0.0437 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) MBOAT family protein 0.0149 0.0437 0.0437
Leishmania major glycerol uptake protein, putative 0.0149 0.0437 0.5
Leishmania major glycerol uptake protein, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) hhat protein 0.0149 0.0437 0.0437
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 0.0499 0.0065
Trypanosoma cruzi GUP1, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) MBOAT family protein 0.0149 0.0437 0.0437
Brugia malayi MBOAT family protein 0.0149 0.0437 0.8741
Brugia malayi Hhat protein 0.0149 0.0437 0.8741
Treponema pallidum alginate O-acetylation protein (algI) 0.0149 0.0437 0.5
Loa Loa (eye worm) hhat protein 0.0149 0.0437 0.0437
Toxoplasma gondii PAN domain-containing protein 0.0892 0.559 1
Echinococcus granulosus insulin receptor 0.0158 0.0499 0.0065
Schistosoma mansoni tyrosine kinase 0.0158 0.0499 0.0065
Loa Loa (eye worm) hypothetical protein 0.0149 0.0437 0.0437
Onchocerca volvulus 0.0386 0.2076 1
Trypanosoma cruzi GUP1, putative 0.0149 0.0437 0.5
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 0.1379 0.8965 0.8965
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149 0.0437 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0149 0.0437 0.5
Echinococcus multilocularis insulin receptor 0.0158 0.0499 0.0065
Brugia malayi diacylglycerol acyltransferase 0.0149 0.0437 0.8741
Schistosoma mansoni tyrosine kinase 0.0158 0.0499 0.0065
Leishmania major glycerol uptake protein, putative 0.0149 0.0437 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0149 0.0437 0.0437
Leishmania major hypothetical protein, conserved 0.0149 0.0437 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0437 0.5
Brugia malayi Protein kinase domain containing protein 0.0158 0.0499 1
Leishmania major glycerol uptake protein, putative 0.0149 0.0437 0.5
Leishmania major glycerol uptake protein, putative 0.0149 0.0437 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 0.0499 0.0065
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149 0.0437 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0149 0.0437 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0149 0.0437 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0149 0.0437 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.0149 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.0437 0.0437
Loa Loa (eye worm) MBOAT family protein 0.0149 0.0437 0.0437
Brugia malayi MBOAT family protein 0.0149 0.0437 0.8741
Brugia malayi MBOAT family protein 0.0149 0.0437 0.8741
Trichomonas vaginalis porcupine, putative 0.0149 0.0437 0.5
Entamoeba histolytica hypothetical protein 0.0149 0.0437 0.5
Brugia malayi MBOAT family protein 0.0149 0.0437 0.8741
Entamoeba histolytica hypothetical protein, conserved 0.0149 0.0437 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0149 0.0437 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 0.0499 0.0499
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0149 0.0437 0.0437

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 40 nM Inhibition of human IGF1R ChEMBL. 21414779
IC50 (binding) = 1044 nM Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr ChEMBL. 21414779

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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