Detailed information for compound 922947

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.375 | Formula: C22H14F3N5
  • H donors: 2 H acceptors: 3 LogP: 5.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)c1nc2c([nH]1)cc(cc2)Nc1ncnc2c1cccc2)(F)F
  • InChi: 1S/C22H14F3N5/c23-22(24,25)14-7-5-13(6-8-14)20-29-18-10-9-15(11-19(18)30-20)28-21-16-3-1-2-4-17(16)26-12-27-21/h1-12H,(H,29,30)(H,26,27,28)
  • InChiKey: XPKDCDYMTTYSCT-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 kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0005 0.0002
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0005
Onchocerca volvulus 0.0021 0.0037 0.0639
Loa Loa (eye worm) hypothetical protein 0.0015 0.0017 0.0014
Echinococcus multilocularis roundabout 2 0.0018 0.0027 0.0027
Echinococcus granulosus twitchin 0.0022 0.004 0.004
Brugia malayi hypothetical protein 0.0011 0.0005 0.0002
Echinococcus multilocularis Immunoglobulin 0.0011 0.0005 0.0005
Echinococcus multilocularis twitchin 0.0011 0.0003 0.0003
Onchocerca volvulus 0.0167 0.0524 0.9695
Echinococcus granulosus MAP kinase activated protein kinase 2 0.3007 1 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.0017 0.0017
Echinococcus granulosus neuroglian 0.0014 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Echinococcus granulosus Immunoglobulin 0.0011 0.0005 0.0005
Plasmodium falciparum protein kinase, putative 0.001 0 0.5
Brugia malayi Plexin repeat family protein 0.0021 0.0037 0.0034
Schistosoma mansoni nephrin 0.0014 0.0015 0.0015
Trypanosoma brucei protein kinase, putative 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0024
Loa Loa (eye worm) plexin A 0.0025 0.005 0.0047
Schistosoma mansoni titin 0.0011 0.0003 0.0003
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0014 0.0015 0.0012
Schistosoma mansoni vesicular amine transporter 0.0011 0.0005 0.0005
Schistosoma mansoni plexin 0.0021 0.0037 0.0037
Leishmania major protein kinase, putative 0.001 0 0.5
Echinococcus granulosus roundabout 2 0.0018 0.0027 0.0027
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.054 1
Echinococcus granulosus plexin a4 0.0025 0.005 0.005
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.001 0 0.5
Echinococcus granulosus titin 0.0011 0.0003 0.0003
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.001 0 0.5
Echinococcus granulosus defective proboscis extension response 0.0011 0.0005 0.0005
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.001 0 0.5
Echinococcus multilocularis titin 0.0011 0.0003 0.0003
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0005 0.0005
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.058 0.0578
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0005 0.0005
Echinococcus granulosus titin 0.0011 0.0003 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0034
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.058 0.0578
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.001 0 0.5
Brugia malayi plexin A 0.0025 0.005 0.0047
Echinococcus multilocularis Immunoglobulin 0.0011 0.0005 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.3007 1 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.3007 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0018 0.0027 0.0024
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0005 0.0002
Echinococcus multilocularis neuroglian 0.0014 0.0015 0.0015
Entamoeba histolytica protein kinase domain containing protein 0.001 0 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0008 0.0008
Echinococcus multilocularis plexin a4 0.0025 0.005 0.005
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0003 0.0003
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0005 0.0002
Schistosoma mansoni plexin 0.0012 0.0008 0.0008
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.3007 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.85 uM Inhibition of human recombinant VEGFR2 pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay ChEMBL. 25082515
IC50 (binding) > 10 uM Inhibition of human recombinant c-Met pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay ChEMBL. 25082515
IC50 (functional) = 78.4 uM Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay ChEMBL. 25082515

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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