Detailed information for compound 1113010

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 269.134 | Formula: C12H13BrO2
  • H donors: 0 H acceptors: 1 LogP: 3.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC1OC(=O)c2c1cc(Br)cc2
  • InChi: 1S/C12H13BrO2/c1-2-3-4-11-10-7-8(13)5-6-9(10)12(14)15-11/h5-7,11H,2-4H2,1H3
  • InChiKey: FTZHLQZQVCBHGB-UHFFFAOYSA-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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.338 0.338
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0072 0.5789 0.8476
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0084 0.6829 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.338 0.495
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0072 0.5789 0.8476
Schistosoma mansoni fk506 binding protein 0.0012 0.0309 0.0453
Loa Loa (eye worm) RNA binding protein 0.0063 0.4963 0.4963
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4963 0.7267
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0012 0.0309 0.0309
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0012 0.0309 0.0309
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0084 0.6829 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0084 0.6829 1
Brugia malayi TAR-binding protein 0.0063 0.4963 0.4963
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0012 0.0309 0.5
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0012 0.0309 0.0453
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0012 0.0309 0.0309
Loa Loa (eye worm) TAR-binding protein 0.0063 0.4963 0.4963
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0084 0.6829 1
Schistosoma mansoni immunophilin 0.0084 0.6829 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.5789 0.5789
Loa Loa (eye worm) FKBP5 protein 0.0084 0.6829 0.6829
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4963 0.7267
Schistosoma mansoni immunophilin 0.0084 0.6829 1
Brugia malayi RNA binding protein 0.0063 0.4963 0.4963
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0012 0.0309 0.0309
Echinococcus multilocularis fk506 binding protein 0.0084 0.6829 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4963 0.7267
Echinococcus multilocularis 0.0012 0.0309 0.0453
Loa Loa (eye worm) hypothetical protein 0.0012 0.0309 0.0309
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0012 0.0309 0.5
Onchocerca volvulus 0.0012 0.0309 0.5
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0012 0.0309 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0084 0.6829 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0084 0.6829 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0012 0.0309 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0012 0.0309 0.0309
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.495
Echinococcus granulosus tar DNA binding protein 0.0063 0.4963 0.7267
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0012 0.0309 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0084 0.6829 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0084 0.6829 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.4963 0.4963
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0084 0.6829 1
Onchocerca volvulus 0.0012 0.0309 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0084 0.6829 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4963 0.7267
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0012 0.0309 0.5
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0012 0.0309 0.0453
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0012 0.0309 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.338 0.495
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.338 0.338
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0084 0.6829 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0084 0.6829 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0012 0.0309 0.0309
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0084 0.6829 1
Schistosoma mansoni immunophilin 0.0072 0.5789 0.8476
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0084 0.6829 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4963 0.7267
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0084 0.6829 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0084 0.6829 0.6829
Schistosoma mansoni hypothetical protein 0.0012 0.0309 0.0453
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0084 0.6829 1
Trichomonas vaginalis fk506-binding protein, putative 0.0084 0.6829 1
Trichomonas vaginalis immunophilin, putative 0.0084 0.6829 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.4963 0.7267
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0012 0.0309 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.338 0.495
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.495
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.4963 0.4963
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0084 0.6829 1
Echinococcus granulosus FK506 binding protein 2 0.0012 0.0309 0.0453
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0084 0.6829 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.338 0.495
Leishmania major fk506-binding protein 1-like protein 0.0084 0.6829 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0084 0.6829 1
Leishmania major peptidylprolyl isomerase-like protein 0.0084 0.6829 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0084 0.6829 0.6829
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0012 0.0309 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0084 0.6829 0.6829
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.338 0.495
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0084 0.6829 1

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.
 
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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