Detailed information for compound 1523525

Basic information

Technical information
  • TDR Targets ID: 1523525
  • Name: N-(3,4-dimethoxyphenyl)-N'-quinolin-3-ylpyrim idine-2,4-diamine
  • MW: 373.408 | Formula: C21H19N5O2
  • H donors: 2 H acceptors: 3 LogP: 4.16 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)Nc1nccc(n1)Nc1cnc2c(c1)cccc2
  • InChi: 1S/C21H19N5O2/c1-27-18-8-7-15(12-19(18)28-2)25-21-22-10-9-20(26-21)24-16-11-14-5-3-4-6-17(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26)
  • InChiKey: KKZHTAYUVGTMSF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3,4-dimethoxyphenyl)-N'-(3-quinolyl)pyrimidine-2,4-diamine
  • [2-[(3,4-dimethoxyphenyl)amino]pyrimidin-4-yl]-(3-quinolyl)amine
  • N-(3,4-dimethoxyphenyl)-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
Schistosoma mansoni tyrosine kinase 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
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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus insulin receptor 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
Schistosoma japonicum Insulin-like peptide receptor precursor, putative 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 IPR008957,Fibronectin, type III-like fold,domain-containing 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
Loa Loa (eye worm) TK/INSR protein kinase 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
Onchocerca volvulus 0.0197 0.0879 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0197 0.0879 0.5
Schistosoma mansoni amine oxidase 0.0197 0.0879 0.0879
Brugia malayi amine oxidase, flavin-containing family protein 0.0197 0.0879 1
Toxoplasma gondii histone lysine-specific demethylase 0.0197 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Schistosoma mansoni amine oxidase 0.0197 0.0879 0.0879
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Brugia malayi hypothetical protein 0.0197 0.0879 1
Plasmodium vivax hypothetical protein, conserved 0.0197 0.0879 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0197 0.0879 0.5
Schistosoma mansoni tyrosine kinase 0.0158 0.0603 0.0603
Echinococcus multilocularis 0.0197 0.0879 0.0879
Schistosoma mansoni tyrosine kinase 0.0158 0.0603 0.0603
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0197 0.0879 0.0879
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0197 0.0879 0.5
Plasmodium vivax hypothetical protein, conserved 0.0197 0.0879 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.1501 1 0.5
Brugia malayi Protein kinase domain containing protein 0.0158 0.0603 0.6867
Echinococcus granulosus insulin receptor 0.0158 0.0603 0.07
Trypanosoma cruzi UDP-galactopyranose mutase 0.0197 0.0879 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0197 0.0879 0.5
Brugia malayi Protein kinase domain containing protein 0.0087 0.0109 0.1238
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0197 0.0879 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.1501 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 0.0603 0.6867
Leishmania major UDP-galactopyranose mutase 0.0197 0.0879 0.5
Brugia malayi SWIRM domain containing protein 0.0197 0.0879 1
Echinococcus granulosus protoporphyrinogen oxidase 0.1303 0.8618 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.01 0.1137
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 0.0603 0.0603
Echinococcus multilocularis insulin receptor 0.0158 0.0603 0.0603
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0197 0.0879 0.0879
Trypanosoma cruzi UDP-galactopyranose mutase 0.0197 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0197 0.0879 0.1019
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 0.0603 0.07
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0197 0.0879 0.5
Loa Loa (eye worm) hypothetical protein 0.0197 0.0879 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.1501 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1303 0.8618 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0197 0.0879 0.1019
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.1501 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 nM Inhibition of human IGF1R ChEMBL. 21414779
IC50 (binding) = 507 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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