Detailed information for compound 1514097

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.631 | Formula: C14H15BrClNO2
  • H donors: 0 H acceptors: 2 LogP: 3.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: BrCCCCCCN1c2ccc(cc2C(=O)C1=O)Cl
  • InChi: 1S/C14H15BrClNO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2
  • InChiKey: UDCHFGQCIIJKJK-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
Brugia malayi Sema domain containing protein 0.0191 0.2091 0.2348
Brugia malayi Immunoglobulin I-set domain containing protein 0.0227 0.2792 0.3135
Loa Loa (eye worm) sema domain-containing protein 0.0191 0.2091 0.2348
Onchocerca volvulus 0.0191 0.2091 0.1542
Echinococcus granulosus semaphorin 1A 0.0191 0.2091 0.2091
Schistosoma mansoni hypothetical protein 0.0191 0.2091 0.2874
Schistosoma mansoni plexin 0.0266 0.3554 0.4885
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Brugia malayi hypothetical protein 0.0191 0.2091 0.2348
Schistosoma mansoni plexin 0.0456 0.7275 1
Brugia malayi hypothetical protein 0.0191 0.2091 0.2348
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Loa Loa (eye worm) hypothetical protein 0.0456 0.7275 0.8169
Entamoeba histolytica tyrosin kinase, putative 0.0111 0.0527 1
Onchocerca volvulus Tyrosine kinase homolog 0.0174 0.1768 0.1015
Loa Loa (eye worm) sema domain-containing protein 0.0191 0.2091 0.2348
Onchocerca volvulus 0.0456 0.7275 1
Entamoeba histolytica protein kinase domain containing protein 0.0111 0.0527 1
Echinococcus multilocularis hypothetical protein 0.0191 0.2091 0.2348
Echinococcus multilocularis semaphorin 5B 0.0191 0.2091 0.2348
Echinococcus granulosus plexin a4 0.054 0.8905 0.8905
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Brugia malayi plexin A 0.054 0.8905 1
Loa Loa (eye worm) plexin A 0.054 0.8905 1
Brugia malayi Plexin repeat family protein 0.0456 0.7275 0.8169
Brugia malayi Sema domain containing protein 0.0191 0.2091 0.2348
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Schistosoma mansoni hypothetical protein 0.0191 0.2091 0.2874
Echinococcus granulosus semaphorin 5B 0.0191 0.2091 0.2091
Schistosoma mansoni hypothetical protein 0.0266 0.3554 0.4885
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Loa Loa (eye worm) hypothetical protein 0.0191 0.2091 0.2348
Schistosoma mansoni semaphorin 5-related 0.0191 0.2091 0.2874
Loa Loa (eye worm) hypothetical protein 0.0266 0.3554 0.3991
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0227 0.2792 0.3135
Echinococcus multilocularis plexin a4 0.054 0.8905 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) Antitubercular activity against Mycobacterium tuberculosis H37Rv at 1 ug/ml by BACTEC radiometric susceptibility assay ChEMBL. 21376591
Inhibition (functional) Antitubercular activity against Mycobacterium tuberculosis H37Rv at 10 ug/ml by BACTEC radiometric susceptibility assay ChEMBL. 21376591
MIC (functional) = 29.7 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv by microplate alamar blue assay ChEMBL. 21376591
MIC (functional) = 31 uM Antitubercular activity against Mycobacterium tuberculosis H37Rv by LORA assay ChEMBL. 21376591

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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