Detailed information for compound 1074462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.349 | Formula: C21H15NO3
  • H donors: 0 H acceptors: 1 LogP: 3.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(C)c2c(o1)cc(cc2)/N=C/c1ccc(cc1)c1cocc1
  • InChi: 1S/C21H15NO3/c1-14-10-21(23)25-20-11-18(6-7-19(14)20)22-12-15-2-4-16(5-3-15)17-8-9-24-13-17/h2-13H,1H3/b22-12+
  • InChiKey: OFTACKLWAMCEMS-WSDLNYQXSA-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 tuberculosis Probable aldehyde dehydrogenase 0.006 0.3193 0.5
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.0632 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.3357 1
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0632 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3193 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3357 0.3357
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.3193 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0024 0.0000000015348
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3357 0.3357
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3357 0.2909
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3357 0.3357
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0632 0.1981
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3193 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.0019 0.0632 0.5
Entamoeba histolytica recQ family DNA helicase 0.001 0.0024 0.0381
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3357 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3193 0.3193
Brugia malayi RNA binding protein 0.0062 0.3357 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0632 0.1825
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0632 0.1825
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0024 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3357 0.3357
Schistosoma mansoni DNA helicase recq5 0.0019 0.0632 0.0632
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.3193 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.3357 0.2909
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3357 1
Schistosoma mansoni DNA helicase recq1 0.0019 0.0632 0.0632
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0024 0.0024
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3193 0.5
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0024 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3357 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.3193 0.2733
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0632 0.1981
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0632 1
Brugia malayi TAR-binding protein 0.0062 0.3357 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0024 0.0075
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0632 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0632 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.3193 0.2733
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3357 0.3357
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0632 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0019 0.0632 0.5
Loa Loa (eye worm) RecQ helicase 0.0019 0.0632 0.1825
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3193 0.3193
Trichomonas vaginalis DNA helicase recq, putative 0.0019 0.0632 0.5

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 12 mm Antibacterial activity against Escherichia coli NCIM 2666 at 100 ug/ml by agar cup plate method ChEMBL. 19837487

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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