Detailed information for compound 1596467

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 240.236 | Formula: C13H9FN4
  • H donors: 0 H acceptors: 3 LogP: 2.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)n1nnc(c1)c1ccccn1
  • InChi: 1S/C13H9FN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H
  • InChiKey: WPXXBGQWUDJFBF-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 fms-related tyrosine kinase 3 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
Brugia malayi Diacylglycerol kinase protein 2 0.0048 0.0227 1
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0048 0.0227 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0048 0.0227 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0048 0.0227 0.5
Trypanosoma cruzi Sphingosine kinase 0.0048 0.0227 0.5
Leishmania major diacylglycerol kinase-like protein 0.0048 0.0227 0.5
Trypanosoma cruzi Sphingosine kinase 0.0048 0.0227 0.5
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0048 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0227 0.0227
Trypanosoma cruzi hypothetical protein, conserved 0.0048 0.0227 0.5
Leishmania major diacylglycerol kinase, putative 0.0048 0.0227 0.5
Leishmania major hypothetical protein, conserved 0.0048 0.0227 0.5
Brugia malayi hypothetical protein 0.0048 0.0227 1
Trypanosoma brucei Sphingosine kinase 0.0048 0.0227 0.5
Trichomonas vaginalis bmru protein, putative 0.0048 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0227 0.0227
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0048 0.0227 0.0227
Trypanosoma cruzi diacylglycerol kinase, putative 0.0048 0.0227 0.5
Loa Loa (eye worm) ceramide kinase 0.0048 0.0227 0.0227
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0048 0.0227 0.5
Mycobacterium tuberculosis Conserved protein 0.1229 1 1
Trypanosoma brucei diacylglycerol kinase, putative 0.0048 0.0227 0.5
Brugia malayi diacylglycerol kinase 0.0048 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.1229 1 1
Brugia malayi Eye-specific diacylglycerol kinase 0.0048 0.0227 1
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0048 0.0227 0.5
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0048 0.0227 0.5
Entamoeba histolytica hypothetical protein, conserved 0.1229 1 1
Trichomonas vaginalis diacylglycerol kinase, putative 0.0048 0.0227 0.5
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0048 0.0227 0.5
Brugia malayi Ceramide kinase 0.0048 0.0227 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0048 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0227 0.0227
Trypanosoma brucei hypothetical protein, conserved 0.0048 0.0227 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0048 0.0227 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0048 0.0227 0.5
Schistosoma mansoni sphingoid long chain base kinase 0.1229 1 1
Onchocerca volvulus 0.0048 0.0227 0.5
Schistosoma mansoni sphingosine kinase A B 0.1229 1 1
Brugia malayi diacylglycerol kinase 0.0048 0.0227 1
Leishmania major hypothetical protein, conserved 0.0048 0.0227 0.5
Leishmania major sphingosine kinase A, B, putative 0.0048 0.0227 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0048 0.0227 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0048 0.0227 0.5
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0048 0.0227 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0048 0.0227 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0048 0.0227 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0227 0.5
Trichomonas vaginalis bmru protein, putative 0.0048 0.0227 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0048 0.0227 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0048 0.0227 0.5
Mycobacterium ulcerans hypothetical protein 0.1229 1 1
Echinococcus multilocularis sphingosine kinase 1 0.1229 1 1
Plasmodium vivax diacylglycerol kinase, putative 0.0048 0.0227 0.5
Loa Loa (eye worm) diacylglycerol kinase 2 0.0048 0.0227 0.0227

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.7 uM Inhibition of FLT3 by colorimetric analysis ChEMBL. 22104147

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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