Detailed information for compound 990885

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.764 | Formula: C18H10ClFN6
  • H donors: 2 H acceptors: 4 LogP: 3.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(n1)c(c1ccc(c(c1)Cl)F)c([nH]2)c1cnc(nc1)N
  • InChi: 1S/C18H10ClFN6/c19-12-5-9(1-3-13(12)20)15-16(10-7-23-18(22)24-8-10)26-14-4-2-11(6-21)25-17(14)15/h1-5,7-8,26H,(H2,22,23,24)
  • InChiKey: STQVRIVQOZWXBG-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 MET proto-oncogene, receptor 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
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0116 0.2128 0.214
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0101 0.1801 0.181
Schistosoma mansoni tyrosine kinase 0.0016 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0021 0.0113 0.0107
Echinococcus granulosus tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0116 0.2128 0.214
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0116 0.2128 0.214
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0023 0.0153 0.0148
Schistosoma mansoni plexin 0.0021 0.0113 0.0114
Echinococcus multilocularis c src tyrosine kinase 0.0027 0.0243 0.0239
Schistosoma mansoni nck2/grb4 0.0023 0.0153 0.0155
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0023 0.0153 0.0155
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.049 1 1
Brugia malayi SRC-1 0.0116 0.2128 0.2124
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0116 0.2128 0.214
Loa Loa (eye worm) TK protein kinase 0.0094 0.1648 0.1643
Echinococcus granulosus tyrosine protein kinase HCK 0.0094 0.1648 0.1655
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0027 0.0243 0.0239
Echinococcus multilocularis plexin a4 0.0025 0.0193 0.0189
Schistosoma mansoni growth factor receptor-bound protein 0.0023 0.0153 0.0155
Echinococcus granulosus tyrosine protein kinase Blk 0.0105 0.1891 0.1901
Echinococcus multilocularis tyrosine protein kinase HCK 0.0094 0.1648 0.1655
Echinococcus multilocularis activin receptor type 0.0224 0.4393 0.4423
Schistosoma mansoni tyrosine kinase 0.0116 0.2128 0.2145
Echinococcus granulosus tyrosine protein kinase Lyn 0.0117 0.2143 0.2155
Echinococcus granulosus plexin a4 0.0025 0.0193 0.0189
Entamoeba histolytica protein kinase, putative 0.0094 0.1648 1
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0219 0.4303 0.4332
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0116 0.2128 0.214
Echinococcus granulosus tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Echinococcus granulosus tyrosine protein kinase Src64B 0.0116 0.2128 0.214
Schistosoma mansoni tyrosine kinase 0.0016 0.0006 0.0006
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0027 0.0243 0.0239
Brugia malayi plexin A 0.0025 0.0193 0.0188
Schistosoma mansoni tyrosine kinase 0.0027 0.0243 0.0245
Brugia malayi hypothetical protein 0.0187 0.3609 0.3606
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0187 0.3624 0.362
Brugia malayi Plexin repeat family protein 0.0021 0.0113 0.0107
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Echinococcus granulosus activin receptor type 0.0224 0.4393 0.4423
Schistosoma mansoni tyrosine kinase 0.0027 0.0243 0.0245
Schistosoma mansoni protein kinase 0.0486 0.9925 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.3609 0.3606
Echinococcus granulosus tyrosine protein kinase Src42A 0.0116 0.2128 0.214
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0187 0.3624 0.362
Loa Loa (eye worm) hypothetical protein 0.0023 0.0153 0.0148
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0116 0.2128 0.214
Brugia malayi Protein kinase domain containing protein 0.0187 0.3624 0.362
Echinococcus multilocularis tyrosine protein kinase Abl 0.0027 0.0243 0.0239
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0116 0.2128 0.214
Schistosoma mansoni growth factor receptor-bound protein 0.0023 0.0153 0.0155
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0105 0.1891 0.1901
Loa Loa (eye worm) SRC-1 0.0116 0.2128 0.2124
Brugia malayi protein-tyrosine kinase 0.0105 0.1891 0.1886
Echinococcus multilocularis growth factor receptor bound protein 2 0.0023 0.0153 0.0149
Echinococcus granulosus growth factor receptor bound protein 2 0.0023 0.0153 0.0149
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0105 0.1891 0.1901
Echinococcus multilocularis tyrosine protein kinase Blk 0.0105 0.1891 0.1901
Schistosoma mansoni tyrosine kinase 0.0116 0.2128 0.2145
Echinococcus granulosus tyrosine protein kinase Src42A 0.0101 0.1801 0.181
Brugia malayi Variant SH3 domain containing protein 0.0023 0.0153 0.0148
Brugia malayi protein C17H12.11 0.0187 0.3609 0.3606
Schistosoma mansoni protein kinase 0.0223 0.4378 0.4411
Echinococcus granulosus TGF beta receptor type 1 0.0486 0.9925 1
Echinococcus multilocularis NCK adaptor protein 0.0023 0.0153 0.0149
Onchocerca volvulus 0.0021 0.0113 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Echinococcus granulosus TGF-beta receptor type-1 0.0486 0.9925 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0027 0.0243 0.0237
Schistosoma mansoni adapter molecule crk 0.0023 0.0153 0.0155
Echinococcus multilocularis TGF beta receptor type 1 0.0486 0.9925 1
Brugia malayi Sex muscle abnormal protein 5 0.0023 0.0153 0.0148
Echinococcus granulosus c src tyrosine kinase 0.0027 0.0243 0.0239
Echinococcus granulosus NCK adaptor protein 0.0023 0.0153 0.0149
Loa Loa (eye worm) plexin A 0.0025 0.0193 0.0188
Echinococcus multilocularis tyrosine protein kinase Srms 0.0105 0.1891 0.1901
Echinococcus granulosus tyrosine kinase 0.0105 0.1891 0.1901
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0023 0.0153 0.0148
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0116 0.2128 0.214
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0027 0.0243 0.0245
Loa Loa (eye worm) TK protein kinase 0.0105 0.1891 0.1886
Echinococcus granulosus tyrosine protein kinase Fyn 0.0116 0.2128 0.214
Brugia malayi Variant SH3 domain containing protein 0.0023 0.0153 0.0148

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) > 60 % Inhibition of GST-tagged human c-Met expressed in SF9 cells assessed as remaining activity at 10 uM ChEMBL. 19269177
IC50 (binding) > 10 uM Inhibition of GST-tagged human c-Met expressed in SF9 cells ChEMBL. 19269177

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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