Detailed information for compound 1996733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.402 | Formula: C20H18FN7O
  • H donors: 1 H acceptors: 4 LogP: 2.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N(/N=C(/c1ccc2n(n1)c(cn2)Cc1cc2cccnc2cc1F)\C)C
  • InChi: 1S/C20H18FN7O/c1-12(25-27(2)20(22)29)17-5-6-19-24-11-15(28(19)26-17)9-14-8-13-4-3-7-23-18(13)10-16(14)21/h3-8,10-11H,9H2,1-2H3,(H2,22,29)/b25-12+
  • InChiKey: XTJLRYYBZQMAFB-BRJLIKDPSA-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 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
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0061 0.0082
Brugia malayi ImpB/MucB/SamB family protein 0.0075 0.7377 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Schistosoma mansoni hypothetical protein 0.0042 0.3399 0.4607
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.377 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0061 0.0061
Echinococcus multilocularis dna polymerase kappa 0.0045 0.377 0.5069
Echinococcus granulosus dna polymerase eta 0.0075 0.7377 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.2073 0.281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.377 0.511
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0014 0.0061 1
Brugia malayi plexin A 0.0025 0.1306 0.177
Loa Loa (eye worm) plexin A 0.0025 0.1306 0.1306
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.2073 0.281
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.377 0.511
Loa Loa (eye worm) hypothetical protein 0.0075 0.7377 0.7377
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0096 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Leishmania major hypothetical protein, conserved 0.0014 0.0061 0.0082
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Entamoeba histolytica hypothetical protein 0.0042 0.3399 0.3358
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0044 0.3608 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Leishmania major DNA polymerase eta, putative 0.0075 0.7377 1
Leishmania major DNA polymerase kappa, putative 0.0045 0.377 0.511
Trypanosoma brucei unspecified product 0.0045 0.377 0.511
Brugia malayi Plexin repeat family protein 0.0021 0.0841 0.114
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0045 0.377 0.5069
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0014 0.0061 0.0168
Schistosoma mansoni hypothetical protein 0.0014 0.0039 0.0053
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.377 0.511
Entamoeba histolytica hypothetical protein 0.0042 0.3399 0.3358
Entamoeba histolytica hypothetical protein 0.0042 0.3399 0.3358
Trypanosoma brucei DNA polymerase eta, putative 0.0075 0.7377 1
Trypanosoma brucei unspecified product 0.0031 0.2073 0.281
Loa Loa (eye worm) hypothetical protein 0.0096 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.3399 0.3358
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Echinococcus granulosus plexin a4 0.0025 0.1306 0.1701
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0014 0.0061 0.0082
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0045 0.377 0.5069
Loa Loa (eye worm) hypothetical protein 0.0021 0.0841 0.0841
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0014 0.0061 0.0082
Brugia malayi hypothetical protein 0.0042 0.3399 0.4607
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.377 0.511
Schistosoma mansoni plexin 0.0021 0.0841 0.114
Schistosoma mansoni terminal deoxycytidyl transferase 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.377 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.3399 0.4562
Echinococcus multilocularis plexin a4 0.0025 0.1306 0.1701
Trypanosoma brucei unspecified product 0.0031 0.2073 0.281
Leishmania major DNA polymerase eta, putative 0.0044 0.3608 0.489
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.377 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.377 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0045 0.377 0.511
Schistosoma mansoni DNA polymerase eta 0.0075 0.7377 1
Echinococcus granulosus dna polymerase kappa 0.0045 0.377 0.5069
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0014 0.0061 0.0082
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0045 0.377 0.5
Echinococcus multilocularis dna polymerase eta 0.0075 0.7377 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.377 0.511
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.3399 0.4562
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0045 0.377 0.377
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.3608 0.489
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0014 0.0061 0.0161
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.377 0.511
Entamoeba histolytica deoxycytidyl transferase, putative 0.0045 0.377 0.3732
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0014 0.0061 1
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0014 0.0061 1
Giardia lamblia DINP protein human, muc B family 0.0045 0.377 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.2073 0.281
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.377 0.511
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.377 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.3399 0.4607
Onchocerca volvulus 0.0021 0.0841 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.377 0.511
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0061 0.0082
Trypanosoma cruzi DNA polymerase eta, putative 0.0075 0.7377 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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