Detailed information for compound 36487

Basic information

Technical information
  • TDR Targets ID: 36487
  • Name: 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-mor pholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinoli n-9-one
  • MW: 486.394 | Formula: C24H25Cl2N5O2
  • H donors: 2 H acceptors: 3 LogP: 5.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(O)c2c(c1CCN1CCOCC1)ccc1c2n(C)c(n1)Nc1c(Cl)cccc1Cl
  • InChi: 1S/C24H25Cl2N5O2/c1-14-15(8-9-31-10-12-33-13-11-31)16-6-7-19-22(20(16)23(32)27-14)30(2)24(28-19)29-21-17(25)4-3-5-18(21)26/h3-7H,8-13H2,1-2H3,(H,27,32)(H,28,29)
  • InChiKey: NFKCXCSVZOJQAY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,6-dichloroanilino)-1,7-dimethyl-6-(2-morpholinoethyl)-8H-imidazo[4,5-h]isoquinolin-9-one
  • 2-[(2,6-dichlorophenyl)amino]-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-imidazo[4,5-h]isoquinolin-9-one
  • 2-[(2,6-dichlorophenyl)amino]-1,7-dimethyl-6-(2-morpholin-4-ylethyl)-8H-pyrido[4,3-g]benzimidazol-9-one
  • 2-[(2,6-dichlorophenyl)amino]-1,7-dimethyl-6-(2-morpholinoethyl)-8H-pyrido[4,3-g]benzimidazol-9-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.1313 1 1
Schistosoma mansoni nck2/grb4 0.0009 0.0025 0.0025
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.1313 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0035 0.0034
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0272 0.2036 0.5
Schistosoma mansoni uridine phosphorylase 0.0272 0.2036 0.2036
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0035 0.0034
Schistosoma mansoni tyrosine kinase 0.0006 0.0001 0.0001
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.1313 1 1
Echinococcus granulosus c src tyrosine kinase 0.001 0.0035 0.0034
Schistosoma mansoni tyrosine kinase 0.0006 0.0001 0.0001
Echinococcus granulosus uridine phosphorylase 1 0.0272 0.2036 0.2035
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Plasmodium falciparum purine nucleoside phosphorylase 0.0272 0.2036 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0035 0.0034
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0025 0.0025
Toxoplasma gondii Purine nucleoside phosphorylase 0.0272 0.2036 0.5
Echinococcus granulosus methylthioadenosine phosphorylase 0.0272 0.2036 0.2035
Toxoplasma gondii phosphorylase family protein 0.0272 0.2036 0.5
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0035 0.0034
Leishmania major methylthioadenosine phosphorylase, putative 0.0272 0.2036 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0035 0.0035
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0025 0.003
Trypanosoma brucei uridine phosphorylase 0.0272 0.2036 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Chlamydia trachomatis AMP nucleosidase 0.0272 0.2036 0.5
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.1041 0.792 0.792
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0272 0.2036 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Echinococcus granulosus NCK adaptor protein 0.0009 0.0025 0.0024
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0272 0.2036 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0272 0.2036 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Mycobacterium ulcerans purine nucleoside phosphorylase 0.1313 1 1
Loa Loa (eye worm) uridine phosphorylase 0.0272 0.2036 0.257
Brugia malayi SRC-1 0.001 0.0035 0.0034
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0272 0.2036 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.1313 1 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0035 0.0034
Schistosoma mansoni methylthioadenosine phosphorylase 0.0272 0.2036 0.2036
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.0035 0.0034
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0272 0.2036 1
Schistosoma mansoni adapter molecule crk 0.0009 0.0025 0.0025
Schistosoma mansoni methylthioadenosine phosphorylase 0.0272 0.2036 0.2036
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0025 0.0024
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0009 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.1041 0.792 1
Schistosoma mansoni purine nucleoside phosphorylase 0.1313 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0035 0.0034
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0272 0.2036 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0035 0.0034
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0035 0.0034
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0035 0.0034
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0272 0.2036 0.257
Echinococcus multilocularis purine nucleoside phosphorylase 0.1041 0.792 0.792
Schistosoma mansoni tyrosine kinase 0.001 0.0035 0.0035
Loa Loa (eye worm) SRC-1 0.001 0.0035 0.0043
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0272 0.2036 0.2035
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0035 0.0034
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0025 0.0024
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0035 0.0034
Brugia malayi uridine phosphorylase family protein 0.0272 0.2036 0.2035
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0035 0.0034
Toxoplasma gondii phosphorylase family protein 0.0272 0.2036 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0025 0.0024
Treponema pallidum pfs protein (pfs) 0.0272 0.2036 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0025 0.0025
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0272 0.2036 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0035 0.0034
Brugia malayi MTAP 0.0272 0.2036 0.2035
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0272 0.2036 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0035 0.0035
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0025 0.0024
Entamoeba histolytica hypothetical protein 0.0272 0.2036 1
Schistosoma mansoni tyrosine kinase 0.001 0.0035 0.0035
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0035 0.0034
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0272 0.2036 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0035 0.0034
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0272 0.2036 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis uridine phosphorylase 1 0.0272 0.2036 0.2035
Leishmania major nucleoside phosphorylase-like protein 0.0272 0.2036 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0025 0.0024
Schistosoma mansoni methylthioadenosine phosphorylase 0.0272 0.2036 0.2036
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0025 0.003
Echinococcus multilocularis purine nucleoside phosphorylase 0.1313 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.1041 0.792 0.792
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0272 0.2036 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0035 0.0034
Treponema pallidum uridine phosphorylase (udp) 0.0272 0.2036 0.5
Schistosoma mansoni uridine phosphorylase 0.0272 0.2036 0.2036
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0035 0.0035
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0272 0.2036 0.5
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0025 0.0024
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0272 0.2036 1
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.1313 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.27 uM Inhibition of Calcium release in jurkat cells ChEMBL. 12672234
EC50 (functional) = 0.27 uM Inhibition of Calcium release in jurkat cells ChEMBL. 12672234
IC50 (binding) = 0.03 uM Inhibition of p56 Lck tyrosine kinase ChEMBL. 12672234
IC50 (binding) = 0.03 uM Inhibition of p56 Lck tyrosine kinase ChEMBL. 12672234

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12672234

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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