Detailed information for compound 1499179

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 241.245 | Formula: C13H11N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccccc1C=NNc1ccccn1
  • InChi: 1S/C13H11N3O2/c17-13(18)11-6-2-1-5-10(11)9-15-16-12-7-3-4-8-14-12/h1-9H,(H,14,16)(H,17,18)
  • InChiKey: KTLKQLVQCFUCET-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 TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni thyroid hormone receptor 0.0132 0.1899 0.1918
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.043 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0139 0.208 0.5
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0139 0.208 0.5
Mycobacterium ulcerans acetolactate synthase 0.0246 0.4994 0.4994
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0246 0.5006 0.9245
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0246 0.4994 0.4994
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.043 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0246 0.4994 0.5
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.043 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.1632 0.8238
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0139 0.208 0.5
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.043 1 1
Schistosoma mansoni hypothetical protein 0.0122 0.1632 0.158
Schistosoma mansoni thyroid hormone receptor 0.0132 0.1899 0.1918
Treponema pallidum pyruvate oxidoreductase 0.0063 0 0.5
Trichomonas vaginalis set domain proteins, putative 0.023 0.4571 1
Schistosoma mansoni acetolactate synthase 0.0367 0.8298 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.1899 1
Onchocerca volvulus 0.023 0.4571 0.5
Loa Loa (eye worm) ILVBL protein 0.026 0.5384 1
Mycobacterium ulcerans hypothetical protein 0.043 1 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0184 0.3304 0.3304
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.1632 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0139 0.208 0.5
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0063 0 0.5
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0246 0.4994 1
Schistosoma mansoni acetolactate synthase 0.0367 0.8298 1
Plasmodium falciparum acyl-CoA synthetase 0.0246 0.4994 0.5
Brugia malayi Pre-SET motif family protein 0.0202 0.3809 0.3564
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0076 0.0378 0.0378
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.043 1 1
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0063 0 0.5
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.043 1 1
Mycobacterium ulcerans hypothetical protein 0.0139 0.208 0.208
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.3809 0.6853
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0246 0.4994 0.4994

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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

Bibliographic References

No literature references available for this target.

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