Detailed information for compound 143203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.877 | Formula: C20H15ClN4OS
  • H donors: 2 H acceptors: 3 LogP: 5.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)sc(n2)Nc1ccccn1)Nc1c(C)cccc1Cl
  • InChi: 1S/C20H15ClN4OS/c1-12-5-4-6-14(21)18(12)25-19(26)13-8-9-15-16(11-13)27-20(23-15)24-17-7-2-3-10-22-17/h2-11H,1H3,(H,25,26)(H,22,23,24)
  • InChiKey: YOFSDETVDVMCED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 Possible cytochrome P450 135A1 Cyp135A1 0.0011 0.1138 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.1011 0.8887
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.1011 0.8887
Loa Loa (eye worm) hypothetical protein 0.0009 0.072 0.072
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.072 0.6328
Schistosoma mansoni tyrosine kinase 0.001 0.1011 0.8887
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.072 0.072
Brugia malayi Cytochrome P450 family protein 0.0011 0.1138 0.1138
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0.1138 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.1138 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0.1138 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.1011 0.8887
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0.1138 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.1138 1
Trypanosoma cruzi cytochrome P450, putative 0.002 0.3172 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.1011 0.8887
Trypanosoma brucei cytochrome P450, putative 0.002 0.3172 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.3172 1
Brugia malayi Variant SH3 domain containing protein 0.0009 0.072 0.072
Echinococcus granulosus c src tyrosine kinase 0.001 0.1011 0.8887
Schistosoma mansoni tyrosine kinase 0.001 0.1011 0.8887
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0.1138 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.1011 0.8887
Onchocerca volvulus 0.0006 0 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.1011 0.1011
Toxoplasma gondii cytochrome p450 superfamily protein 0.0011 0.1138 0.5
Mycobacterium leprae putative cytochrome p450 0.0011 0.1138 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0707 0.0707
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0.1138 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0.1138 0.5
Onchocerca volvulus 0.0006 0 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.072 0.072
Schistosoma mansoni adapter molecule crk 0.0009 0.072 0.6328
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.1011 0.8887
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.3172 0.3172
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.1011 0.8887
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.1011 0.8887
Brugia malayi Cytochrome P450 family protein 0.002 0.3172 0.3172
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.1011 0.8887
Schistosoma mansoni cytochrome P450 0.0011 0.1138 1
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.072 0.6328
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.3172 0.3172
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0.1138 0.5
Leishmania major cytochrome p450-like protein 0.002 0.3172 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0.1138 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0.1138 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0.1138 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Onchocerca volvulus 0.0006 0 0.5
Echinococcus granulosus NCK adaptor protein 0.0009 0.072 0.6328
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0.1138 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0.1138 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0011 0.1138 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.1011 0.8887
Onchocerca volvulus 0.0006 0 0.5
Echinococcus multilocularis c src tyrosine kinase 0.001 0.1011 0.8887
Schistosoma mansoni tyrosine kinase 0.001 0.1011 0.8887
Brugia malayi Variant SH3 domain containing protein 0.0009 0.072 0.072
Echinococcus multilocularis 0.0011 0.1138 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.072 0.6328
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0.1138 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0.1138 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Loa Loa (eye worm) cytochrome P450 0.0011 0.1138 0.1138
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0.1138 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.1011 0.8887
Loa Loa (eye worm) cytochrome P450 family protein 0.005 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.072 0.6328
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0.1138 0.5
Brugia malayi cytochrome P450 0.0011 0.1138 0.1138
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.072 0.072
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.1011 0.8887
Trypanosoma cruzi cytochrome P450, putative 0.002 0.3172 1
Brugia malayi Cytochrome P450 family protein 0.002 0.3172 0.3172
Onchocerca volvulus 0.0006 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0.1138 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0.1138 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.1011 0.8887
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Echinococcus multilocularis NCK adaptor protein 0.0009 0.072 0.6328
Schistosoma mansoni nck2/grb4 0.0009 0.072 0.6328
Onchocerca volvulus 0.0006 0 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.1011 0.8887
Loa Loa (eye worm) SRC-1 0.001 0.1011 0.1011
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.1011 0.8887
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.1011 0.8887
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.072 0.6328
Brugia malayi SRC-1 0.001 0.1011 0.1011
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.1011 0.8887
Loa Loa (eye worm) CYP4Cod1 0.002 0.3172 0.3172
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0006 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0.1138 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.084 uM Inhibition of human p56 Lck tyrosine kinase ChEMBL. 12852972
IC50 (binding) = 0.084 uM Inhibition of human p56 Lck tyrosine kinase ChEMBL. 12852972

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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