Detailed information for compound 33635

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.191 | Formula: C16H14BrNO3
  • H donors: 2 H acceptors: 3 LogP: 4.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)c1ccccc1NC(C(=O)O)C
  • InChi: 1S/C16H14BrNO3/c1-10(16(20)21)18-14-5-3-2-4-13(14)15(19)11-6-8-12(17)9-7-11/h2-10,18H,1H3,(H,20,21)
  • InChiKey: PQFLVBSSTNVABR-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
Schistosoma mansoni Hyaluronidase 0.0654 0.4759 0.4536
Brugia malayi G-protein coupled receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0105 0.0407 0.0856
Echinococcus multilocularis geminin 0.0181 0.101 0.1001
Onchocerca volvulus Neuropeptide F receptor homolog 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi RE15519p 0.0105 0.0407 0.0856
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi AKH receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Schistosoma mansoni hypothetical protein 0.0181 0.101 0.0628
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0865 0.6424 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Tachykinin-like peptides receptor 99D 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0105 0.0407 0.5
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Melatonin receptor type 1A 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi larval opioid receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi neuropeptide F receptor 0.0105 0.0407 0.0856
Brugia malayi G protein-coupled receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) neuropeptide F receptor 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) G-protein coupled receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Dopamine receptor protein 1 0.0105 0.0407 0.0856
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0105 0.0407 0.0856
Brugia malayi neuropeptide F receptor 0.0105 0.0407 0.0856
Schistosoma mansoni hypothetical protein 0.0181 0.101 0.0628
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0105 0.0407 0.0856
Brugia malayi G protein-coupled receptor F59B2.13 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Echinococcus granulosus bifunctional protein NCOAT 0.0654 0.4759 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hyaluronidase 0.0654 0.4759 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.178 0.374
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1356 0.5
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Serotonin receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) TYRA-2 protein 0.0105 0.0407 0.0856
Brugia malayi G-protein coupled receptor 0.0105 0.0407 0.0856
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0654 0.4759 0.4536
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) neuropeptide F receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi ORL1-like opioid receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi sulfakinin receptor protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Dopamine receptor protein 2 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Echinococcus multilocularis bifunctional protein NCOAT 0.0654 0.4759 0.7233
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi Dopamine receptor 0.0105 0.0407 0.0856
Echinococcus granulosus geminin 0.0181 0.101 0.1384
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) G-protein coupled receptor 0.0105 0.0407 0.0856
Brugia malayi GnHR receptor homolog 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi Hyaluronidase family protein 0.0654 0.4759 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0105 0.0407 0.0856
Loa Loa (eye worm) melatonin receptor type 1A 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi putative neuropeptide receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi follicle stimulating hormone receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Onchocerca volvulus 0.0105 0.0407 0.5
Brugia malayi Serotonin receptor 0.0105 0.0407 0.0856
Loa Loa (eye worm) hypothetical protein 0.0105 0.0407 0.0856
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0105 0.0407 0.0856

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = -29 % Percentage change in volume of pleural fluid in the 5-h Evans Blue-Carrageenan pleural assay for the compound at dose 100 mg/kg ChEMBL. 6481768
Change (functional) = -25 % Percentage change in volume of pleural fluid in the 5-h Evans Blue-Carrageenan pleural assay for Indomethacin 4.0 mg/kg ChEMBL. 6481768
Change (functional) = -3 % Percentage change in volume of pleural fluid in the 5-h Evans Blue-Carrageenan pleural assay for the compound at dose 4 mg/kg ChEMBL. 6481768
Efficacy ratio (functional) = 1.43 Oral antiinflammatory activity, measured in rats at the dose of 316 mg/kg ChEMBL. 6481768
Efficacy ratio (functional) = 1.46 Oral antiinflammatory activity, measured in rats at the dose of 316 mg/kg ChEMBL. 6481768

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.

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