Detailed information for compound 951575

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.187 | Formula: C17H13BrO4
  • H donors: 0 H acceptors: 1 LogP: 4.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1c1cc2cc(Br)cc(c2oc1=O)OC
  • InChi: 1S/C17H13BrO4/c1-20-14-6-4-3-5-12(14)13-8-10-7-11(18)9-15(21-2)16(10)22-17(13)19/h3-9H,1-2H3
  • InChiKey: DARINKLQKZLLGU-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
Mycobacterium ulcerans peptide deformylase 0.0228 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0587 0.0865
Brugia malayi Peptidase family M1 containing protein 0.0116 0.4201 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.2685 0.5
Plasmodium falciparum peptide deformylase 0.0228 1 0.5
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0087 0.2685 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0587 0.0865
Schistosoma mansoni hypothetical protein 0.0166 0.6782 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0587 0.0865
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.2685 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0587 0.0865
Trypanosoma brucei Polypeptide deformylase 1 0.0087 0.2685 0.5
Echinococcus granulosus aminopeptidase N 0.0116 0.4201 0.6195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0587 0.0865
Treponema pallidum polypeptide deformylase (def) 0.0228 1 0.5
Plasmodium vivax peptide deformylase, putative 0.0228 1 0.5
Echinococcus multilocularis aminopeptidase N 0.0116 0.4201 0.6195
Loa Loa (eye worm) hypothetical protein 0.0104 0.3577 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0587 0.0865
Loa Loa (eye worm) hypothetical protein 0.0082 0.2427 0.6152
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Trypanosoma brucei Peptide deformylase 2 0.0087 0.2685 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0094 0.3051 0.8238
Toxoplasma gondii hypothetical protein 0.0228 1 0.5
Echinococcus granulosus geminin 0.0166 0.6782 1
Echinococcus multilocularis geminin 0.0166 0.6782 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0587 0.1397
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0087 0.2685 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0228 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0228 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0087 0.2685 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0228 1 0.5
Onchocerca volvulus 0.0116 0.4201 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.6782 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0587 0.0865

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 47.65 % Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production at 5 mg/L pre-incubated for 2 hrs before LPS stimulation for 24 hrs ChEMBL. 25453803

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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