Detailed information for compound 520955

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 203.197 | Formula: C10H9N3O2
  • H donors: 1 H acceptors: 4 LogP: 1.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1O)Cn1cnnc1
  • InChi: 1S/C10H9N3O2/c14-9-4-2-1-3-8(9)10(15)5-13-6-11-12-7-13/h1-4,6-7,14H,5H2
  • InChiKey: DLZYQBZTNPGCDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Brugia malayi CHE-14 protein 0.0042 0.1585 0.2481
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3388 0.4441
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3388 0.4441
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0 0.5
Echinococcus granulosus expressed conserved protein 0.0093 0.5878 0.5102
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.1585 0.2481
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.6389 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.6389 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3388 0.5303
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1455 0.1009
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.6519 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3388 0.5303
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.6389 0.5709
Brugia malayi RNA binding protein 0.0063 0.3388 0.5303
Loa Loa (eye worm) hypothetical protein 0.005 0.2235 0.3498
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3388 0.4441
Echinococcus multilocularis protein dispatched 1 0.0048 0.2095 0.0606
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2397 0.3752
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2235 0.3498
Onchocerca volvulus 0.0024 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3388 0.5303
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.6389 0.5709
Echinococcus multilocularis expressed conserved protein 0.0093 0.5878 0.5102
Schistosoma mansoni hypothetical protein 0.0041 0.1455 0.1009
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0886 0.1387
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3388 0.4441
Echinococcus granulosus tar DNA binding protein 0.0063 0.3388 0.2143
Schistosoma mansoni hypothetical protein 0.0041 0.1455 0.1009
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3388 0.2143
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0024 0 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.1585 0.2481
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2235 0.3498
Brugia malayi TAR-binding protein 0.0063 0.3388 0.5303
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2235 0.3498
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3388 0.4441
Schistosoma mansoni patched 1 0.0042 0.1585 0.124
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.3388 0.5303
Loa Loa (eye worm) hypothetical protein 0.0099 0.6389 1
Schistosoma mansoni hypothetical protein 0.0041 0.1455 0.1009
Loa Loa (eye worm) hypothetical protein 0.0034 0.0886 0.1387
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1585 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 16 ug ml-1 Antifungal activity against Saccharomyces cerevisiae PTCC 5177 after 24 to 48 hrs by agar dilution method ChEMBL. 18032039
MIC (functional) = 16 ug ml-1 Antifungal activity against Aspergillus niger PTCC 5012 after 72 hrs by agar dilution method ChEMBL. 18032039
MIC (functional) = 16 ug ml-1 Antifungal activity against Microsporum gypseum PTCC 5070 after 168 hrs by agar dilution method ChEMBL. 18032039
MIC (functional) = 16 ug ml-1 Antifungal activity against Saccharomyces cerevisiae PTCC 5177 after 24 to 48 hrs by agar dilution method ChEMBL. 18032039
MIC (functional) = 32 ug ml-1 Antifungal activity against Candida albicans PTCC 5027 after 24 to 48 hrs by agar dilution method ChEMBL. 18032039
MIC (functional) = 32 ug ml-1 Antifungal activity against Candida albicans PTCC 5027 after 24 to 48 hrs by agar dilution method ChEMBL. 18032039

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.