Detailed information for compound 284348

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 289.331 | Formula: C18H15N3O
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cn1)NC1c2ccccc2OCc2c1cccn2
  • InChi: 1S/C18H15N3O/c1-2-8-17-15(6-1)18(21-13-5-3-9-19-11-13)14-7-4-10-20-16(14)12-22-17/h1-11,18,21H,12H2
  • InChiKey: BNFFJQPOKMNGBC-UHFFFAOYSA-N  


Substructure search Similarity search

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
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0376 0.1675 0.1675
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0211 0.0907 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.0376 0.1675 1
Trypanosoma cruzi folylpolyglutamate synthetase 0.0211 0.0907 0.2823
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.1248 0.5756 0.5756
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0211 0.0907 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.2155 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0028 0.0028
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0376 0.1675 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0376 0.1675 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0376 0.1675 1
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0211 0.0907 0.5413
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.0028
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0211 0.0907 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.1248 0.5756 0.5333
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.0637 0.2897 0.2897
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0211 0.0907 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0028 0.0028
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0304
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0376 0.1675 0.0845
Leishmania major dihydroorotate dehydrogenase 0.0376 0.1675 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl tripeptide synthase 0.0637 0.2897 0.2189
Chlamydia trachomatis UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase 0.0637 0.2897 0.2897
Mycobacterium tuberculosis Possible ligase 0.0211 0.0907 0.0907
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.0028
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0376 0.1675 1
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0211 0.0907 0.5413
Mycobacterium ulcerans hypothetical protein 0.0023 0.0028 0.0028
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0211 0.0907 1
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.2155 1 1
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0211 0.0907 0.2823
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0304
Mycobacterium ulcerans UDP-N-acetylmuramyl tripeptide synthase 0.0211 0.0907 0.0907
Plasmodium falciparum dihydroorotate dehydrogenase 0.0376 0.1675 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0028 0.0028
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0211 0.0907 1
Mycobacterium leprae possible ligase 0.0211 0.0907 0.0882
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0376 0.1675 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.2155 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0028 0.0304
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.2155 1 1
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.2155 1 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.1248 0.5756 0.4025
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0028 0.0028
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.1248 0.5756 0.5756
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0637 0.2897 0.2878
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0147 0.0604 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0376 0.1675 1
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0637 0.2897 0.2897
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.1248 0.5756 0.4025
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0376 0.1675 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0147 0.0604 0.3501
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0637 0.2897 0.2897
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0028 0.0028
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0376 0.1675 0.1675
Leishmania major folylpolyglutamate synthetase 0.0211 0.0907 0.5336
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0028 0.0028
Loa Loa (eye worm) FolC protein 0.0211 0.0907 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0376 0.1675 0.1652
Brugia malayi FolC bifunctional protein 0.0211 0.0907 0.5336
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.1248 0.5756 0.5756
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0376 0.1675 1
Chlamydia trachomatis UDP-N-acetylmuramoylalanine--D-glutamate ligase 0.0637 0.2897 0.2897

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 4 % Percentage inhibition for muscarinic acetylcholine receptor at concentration 10e-6 M. ChEMBL. 3351856
Inhibition (binding) = 4 % Percentage inhibition for muscarinic acetylcholine receptor at concentration 10e-6 M. ChEMBL. 3351856
Inhibition (binding) = 12 % Percentage inhibition for muscarinic acetylcholine receptor at concentration 10 e-5M. ChEMBL. 3351856
Inhibition (binding) = 12 % Percentage inhibition for muscarinic acetylcholine receptor at concentration 10 e-5M. ChEMBL. 3351856
Inhibition (functional) = 15 % The antiulcer activity against stress-induced ulcer in rats by 30 mg/kg peroral administration. ChEMBL. 3351856

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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