Detailed information for compound 1512733

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 318.329 | Formula: C18H14N4O2
  • H donors: 3 H acceptors: 4 LogP: 2.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)Nc1nccc(n1)C1C(=O)Nc2c1cccc2
  • InChi: 1S/C18H14N4O2/c23-12-5-3-4-11(10-12)20-18-19-9-8-15(22-18)16-13-6-1-2-7-14(13)21-17(16)24/h1-10,16,23H,(H,21,24)(H,19,20,22)
  • InChiKey: DVJDBAVGEGLHGP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus granulosus metabotropic glutamate receptor 2 0.0042 0.0273 0.0088
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2089 0.1939
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0187 0.5
Schistosoma mansoni alpha glucosidase 0.0036 0.0187 0.0177
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0187 0.0894
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0187 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0183 0.237 1
Schistosoma mansoni metabotropic glutamate receptor 0.0042 0.0273 0.0263
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0187 0.0894
Onchocerca volvulus 0.0095 0.1058 1
Trypanosoma brucei glucosidase, putative 0.0036 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0569 0.2723
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0648 0.9303 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0062 0.0569 0.0389
Echinococcus multilocularis dnaJ subfamily C 6 0.0062 0.0563 0.0384
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.2089 0.1939
Brugia malayi Metabotropic glutamate receptor precursor. 0.005 0.0395 0.1892
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0057 0.0498 0.0488
Schistosoma mansoni hypothetical protein 0.0171 0.2187 0.2179
Echinococcus granulosus dnaJ subfamily C 6 0.0062 0.0563 0.0384
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0183 0.237 0.2548
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.2089 0.1939
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0046 0.0325 0.1554
Schistosoma mansoni alpha-glucosidase 0.0141 0.1749 0.174
Brugia malayi metabotropic glutamate receptor type 2 0.0025 0.001 0.0049
Loa Loa (eye worm) glutamate receptor 0.005 0.0395 0.1892
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0183 0.237 0.2548
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0187 1
Schistosoma mansoni hypothetical protein 0.0062 0.0563 0.0554
Schistosoma mansoni alpha-glucosidase 0.0141 0.1749 0.174
Brugia malayi DnaJ domain containing protein 0.0062 0.0563 0.2697
Echinococcus granulosus geminin 0.0171 0.2187 0.2038
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0187 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0187 0.5
Echinococcus multilocularis thymidine phosphorylase 0.0648 0.9303 0.929
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.2089 1
Trichomonas vaginalis protein kinase inhibitor, putative 0.0062 0.0563 1
Mycobacterium ulcerans thymidine phosphorylase 0.0648 0.9303 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0042 0.0273 0.0088
Schistosoma mansoni hypothetical protein 0.0171 0.2187 0.2179
Loa Loa (eye worm) DnaJ domain-containing protein 0.0062 0.0563 0.2697
Echinococcus granulosus thymidine phosphorylase 0.0648 0.9303 0.929
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0187 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.2089 1
Echinococcus multilocularis geminin 0.0171 0.2187 0.2038
Echinococcus granulosus metabotropic glutamate receptor 5 0.0062 0.0569 0.0389

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 36 % Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide at 10 uM by filter plate assay ChEMBL. 21316225

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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