Detailed information for compound 818452

Basic information

Technical information
  • TDR Targets ID: 818452
  • Name: [2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-2-yl sulfanylacetate
  • MW: 366.23 | Formula: C15H12BrNO3S
  • H donors: 0 H acceptors: 3 LogP: 3.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1ccccn1)OCC(=O)c1ccc(cc1)Br
  • InChi: 1S/C15H12BrNO3S/c16-12-6-4-11(5-7-12)13(18)9-20-15(19)10-21-14-3-1-2-8-17-14/h1-8H,9-10H2
  • InChiKey: WOLNDOJWDNDPNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(4-bromophenyl)-2-oxo-ethyl] 2-(2-pyridylsulfanyl)acetate
  • 2-(2-pyridylthio)acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester
  • 2-(2-pyridylthio)acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester
  • [2-(4-bromophenyl)-2-oxo-ethyl] 2-pyridin-2-ylsulfanylethanoate
  • 2-(4-Bromophenyl)-2-oxoethyl (2-pyridinylsulfanyl)acetate
  • Acetic acid, 2-(2-pyridylthio)-, 2-(4-bromophenyl)-2-oxoethyl ester
  • ZINC00910450
  • CBMicro_009070
  • BIM-0009236.P001
  • (Pyridin-2-ylsulfanyl)-acetic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester
  • BAS 00293485

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 Methionine aminopeptidase MapB (map) (peptidase M) 0.0272 0.9254 1
Chlamydia trachomatis methionine aminopeptidase 0.0272 0.9254 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0272 0.9254 0.9254
Loa Loa (eye worm) acetylcholinesterase 1 0.0071 0.1413 0.1413
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Loa Loa (eye worm) methionine aminopeptidase type I 0.0291 1 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.3602 0.3602
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0034 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0272 0.9254 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0272 0.9254 1
Schistosoma mansoni thyroid hormone receptor 0.0147 0.4395 0.475
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0272 0.9254 0.9254
Toxoplasma gondii methionine aminopeptidase 0.0291 1 1
Loa Loa (eye worm) hypothetical protein 0.025 0.8393 0.8393
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0291 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0071 0.1413 0.1527
Echinococcus granulosus carboxylesterase 5A 0.0071 0.1413 0.1413
Brugia malayi Nuclear hormone receptor-like 1 0.0261 0.8812 0.8812
Brugia malayi Carboxylesterase family protein 0.0071 0.1413 0.1413
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0034 0 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0272 0.9254 1
Echinococcus granulosus acetylcholinesterase 0.0071 0.1413 0.1413
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0251 0.8438 0.8438
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0272 0.9254 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0272 0.9254 0.9254
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0291 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0272 0.9254 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0272 0.9254 1
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0034 0 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0272 0.9254 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0071 0.1413 0.1413
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0291 1 1
Brugia malayi Carboxylesterase family protein 0.0071 0.1413 0.1413
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0034 0 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0272 0.9254 0.9254
Onchocerca volvulus 0.0034 0 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0291 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.4395 0.4395
Echinococcus granulosus acetylcholinesterase 0.0071 0.1413 0.1413
Loa Loa (eye worm) hypothetical protein 0.0071 0.1413 0.1413
Treponema pallidum methionine aminopeptidase (map) 0.0272 0.9254 1
Onchocerca volvulus Dipeptidase C homolog 0.0034 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.3602 0.3602
Entamoeba histolytica peptidase, putative 0.0034 0 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0291 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0034 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0272 0.9254 1
Brugia malayi Nuclear hormone receptor-like 1 0.0251 0.8438 0.8438
Schistosoma mansoni hypothetical protein 0.0127 0.3602 0.3892
Giardia lamblia Methionine aminopeptidase 0.0034 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.1413 0.1413
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0291 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0251 0.8438 0.8438
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0 0.5
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0071 0.1413 0.1413
Giardia lamblia Xaa-Pro dipeptidase 0.0034 0 0.5
Toxoplasma gondii methionine aminopeptidase 0.0272 0.9254 0.9254
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0071 0.1413 0.1413
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0034 0 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.0291 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0291 1 1
Echinococcus multilocularis acetylcholinesterase 0.0071 0.1413 0.1413
Schistosoma mansoni thyroid hormone receptor 0.0147 0.4395 0.475

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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