Detailed information for compound 922938

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.368 | Formula: C21H14FN5
  • H donors: 2 H acceptors: 3 LogP: 4.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1c1[nH]c2c(n1)ccc(c2)Nc1ncnc2c1cccc2
  • InChi: 1S/C21H14FN5/c22-16-7-3-1-5-14(16)21-26-18-10-9-13(11-19(18)27-21)25-20-15-6-2-4-8-17(15)23-12-24-20/h1-12H,(H,26,27)(H,23,24,25)
  • InChiKey: PLQAYLFONPHMJM-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
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) TK/KIN16 protein kinase 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
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus 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
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.1143 0.3269
Onchocerca volvulus 0.0482 0.3356 1
Schistosoma mansoni plexin 0.0012 0.0006 0.0006
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 1
Brugia malayi thymidylate synthase 0.0482 0.3356 0.3356
Schistosoma mansoni plexin 0.0021 0.0069 0.0069
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.1229 0.1229
Entamoeba histolytica nicotinate phosphoribosyltransferase, putative 0.0262 0.179 0.5
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.1414 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 0.3356
Brugia malayi plexin A 0.0025 0.0096 0.0096
Echinococcus multilocularis plexin a4 0.0025 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0012 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0047
Echinococcus granulosus thymidylate synthase 0.0482 0.3356 0.3356
Trypanosoma cruzi nicotinate phosphoribosyltransferase, putative 0.0262 0.179 0.1304
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.1229 0.1229
Echinococcus multilocularis roundabout 2 0.0018 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0015 0.0026 0.0026
Echinococcus granulosus plexin a4 0.0025 0.0096 0.0096
Schistosoma mansoni cell adhesion molecule 0.0015 0.0026 0.0026
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 0.5
Schistosoma mansoni nephrin 0.0014 0.002 0.002
Loa Loa (eye worm) thymidylate synthase 0.0482 0.3356 0.3356
Echinococcus granulosus roundabout 2 0.0018 0.0047 0.0047
Echinococcus multilocularis neuroglian 0.0014 0.002 0.002
Brugia malayi Plexin repeat family protein 0.0021 0.0069 0.0069
Echinococcus granulosus twitchin 0.0014 0.002 0.002
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0482 0.3356 1
Onchocerca volvulus 0.0167 0.1108 0.3162
Brugia malayi hypothetical protein 0.0229 0.1555 0.1555
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0262 0.179 0.179
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB1 0.0262 0.179 0.1304
Loa Loa (eye worm) pre-B cell enhancing factor 0.1414 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0482 0.3356 0.5
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.1414 1 1
Mycobacterium ulcerans thymidylate synthase 0.0482 0.3356 0.5
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0482 0.3356 0.5
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.1414 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0018 0.0047 0.0047
Schistosoma mansoni nicotinate phosphoribosyltransferase 0.0262 0.179 0.179
Echinococcus multilocularis thymidylate synthase 0.0482 0.3356 0.3356
Treponema pallidum nicotinate phosphoribosyltransferase 0.0262 0.179 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Echinococcus granulosus neuroglian 0.0014 0.002 0.002
Loa Loa (eye worm) plexin A 0.0025 0.0096 0.0096
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0026 0.0026
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0482 0.3356 1
Trichomonas vaginalis nicotinate phosphoribosyltransferase, putative 0.0262 0.179 1
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB2 0.0262 0.179 0.1304

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.35 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) = 7.48 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) = 64.8 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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