Detailed information for compound 2236908

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.161 | Formula: C23H18FN7
  • H donors: 0 H acceptors: 4 LogP: 4.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: CC(c1ccc2n(n1)c(cn2)Cc1cc2cccnc2cc1F)N=Nc1ccccn1
  • InChi: InChI=1S/C23H18FN7/c1-15(28-29-22-6-2-3-9-26-22)20-7-8-23-27-14-18(31(23)30-20)12-17-11-16-5-4-10-25-21(16)13-19(17)24/h2-11,13-15H,12H2,1H3
  • InChiKey: NYJXSYHUDLNAMK-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 No 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 Conserved hypothetical protein 0.0038 0.3745 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3745 0.5069
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.3745 0.3732
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Echinococcus multilocularis dna polymerase kappa 0.0038 0.3745 0.5069
Entamoeba histolytica hypothetical protein 0.0035 0.3373 0.3358
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.3745 0.5069
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0012 0.0022 0.5
Brugia malayi hypothetical protein 0.0035 0.3373 0.4562
Giardia lamblia DINP protein human, muc B family 0.0038 0.3745 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3745 0.5069
Echinococcus multilocularis plexin a4 0.0025 0.1843 0.248
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Onchocerca volvulus 0.0021 0.1288 0.5
Trypanosoma brucei unspecified product 0.0026 0.2042 0.2751
Loa Loa (eye worm) hypothetical protein 0.0081 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Leishmania major DNA polymerase eta, putative 0.0063 0.7367 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Entamoeba histolytica hypothetical protein 0.0035 0.3373 0.3358
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.3745 0.5084
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.3373 0.4562
Brugia malayi ImpB/MucB/SamB family protein 0.0063 0.7367 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0063 0.7367 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0081 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.3745 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.3373 0.4562
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.3745 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Echinococcus granulosus dna polymerase eta 0.0063 0.7367 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.3745 0.5084
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.2042 0.2751
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.3373 0.4578
Echinococcus granulosus dna polymerase kappa 0.0038 0.3745 0.5069
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.3745 0.5069
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.2042 0.2751
Schistosoma mansoni hypothetical protein 0.0035 0.3373 0.4578
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.3745 0.5
Schistosoma mansoni DNA polymerase eta 0.0063 0.7367 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.3583 0.4848
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Loa Loa (eye worm) plexin A 0.0025 0.1843 0.1843
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.3745 0.5069
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.3745 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3745 0.5069
Entamoeba histolytica hypothetical protein 0.0035 0.3373 0.3358
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0012 0.0022 0.5
Trypanosoma brucei unspecified product 0.0026 0.2042 0.2751
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Schistosoma mansoni plexin 0.0012 0.0022 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0022
Trypanosoma brucei unspecified product 0.0038 0.3745 0.5069
Schistosoma mansoni hypothetical protein 0.0012 0.0022 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0022
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0022 0.003
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0012 0.0022 0.003
Echinococcus multilocularis dna polymerase eta 0.0063 0.7367 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.3745 0.3745
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.2042 0.2751
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0012 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.7367 0.7367
Leishmania major DNA polymerase eta, putative 0.0037 0.3583 0.4848
Trypanosoma brucei DNA polymerase eta, putative 0.0063 0.7367 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.3745 1
Leishmania major DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Loa Loa (eye worm) hypothetical protein 0.0021 0.1288 0.1288
Schistosoma mansoni plexin 0.0021 0.1288 0.1749
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.3745 0.5069
Brugia malayi Plexin repeat family protein 0.0021 0.1288 0.1724
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3745 0.5069
Brugia malayi plexin A 0.0025 0.1843 0.248
Entamoeba histolytica hypothetical protein 0.0035 0.3373 0.3358
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.3583 1
Echinococcus granulosus plexin a4 0.0025 0.1843 0.248

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 18 nM BindingDB_Patents: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay. The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners. ChEMBL. No reference
IC50 (binding) = 18 nM BindingDB_Patents: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay. The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners. ChEMBL. No reference

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

No literature references available for this target.

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