Detailed information for compound 1183494

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.149 | Formula: C15H11BrO4
  • H donors: 3 H acceptors: 4 LogP: 3.87 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)/C=C/C(=O)c1c(O)cc(cc1O)O
  • InChi: 1S/C15H11BrO4/c16-10-3-1-2-9(6-10)4-5-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,17,19-20H/b5-4+
  • InChiKey: HDWZMQFKIZQKSI-SNAWJCMRSA-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 serine/threonine-protein kinase plk-2 0.0097 0.4198 0.4198
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1131 0.0513
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0173 0.8182 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1131 0.1383
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Schistosoma mansoni tsg101-related 0.0059 0.2248 0.3611
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0071 0.2869 0.3506
Schistosoma mansoni troponin I 0.0109 0.4856 0.7799
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.4198 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1131 0.2041
Onchocerca volvulus Troponin I homolog 0.0109 0.4856 0.6284
Schistosoma mansoni tsg101-related 0.0048 0.1682 0.2702
Schistosoma mansoni kinase 0.0049 0.172 0.2762
Loa Loa (eye worm) troponin I 0.0109 0.4856 0.4856
Loa Loa (eye worm) hypothetical protein 0.0071 0.2869 0.2869
Echinococcus multilocularis troponin i 0.0109 0.4856 0.5935
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.4198 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Schistosoma mansoni hypothetical protein 0.0109 0.4856 0.7799
Loa Loa (eye worm) hypothetical protein 0.0109 0.4856 0.4856
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.4198 0.4501
Loa Loa (eye worm) troponin 0.0065 0.2538 0.2538
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.1131 0.1131
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1653 0.2127
Brugia malayi hypothetical protein 0.0071 0.2869 0.2869
Loa Loa (eye worm) troponin T 0.0065 0.2538 0.2538
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Echinococcus granulosus oncosphere protein Tso22e 0.0135 0.6226 0.761
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0173 0.8182 1
Echinococcus multilocularis oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22 0.0135 0.6226 0.761
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1653 0.2127
Schistosoma mansoni tsg101-related 0.0059 0.2248 0.3611
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.4198 0.5131
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.1131 0.1383
Schistosoma mansoni hypothetical protein 0.0035 0.0977 0.1569
Trypanosoma brucei polo-like protein kinase 0.0097 0.4198 1
Brugia malayi Troponin I 0.0109 0.4856 0.4856
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0071 0.2869 0.3506
Brugia malayi Troponin T 0.0065 0.2538 0.2538
Schistosoma mansoni troponin t invertebrate 0.0135 0.6226 1
Giardia lamblia Kinase, PLK 0.0097 0.4198 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1131 0.1383
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.4198 1
Brugia malayi Troponin family protein 0.0109 0.4856 0.4856
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1818 0.1818
Brugia malayi hypothetical protein 0.0065 0.2538 0.2538
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1818 0.1818
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1131 0.2041
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.4198 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.4198 0.4198
Echinococcus granulosus troponin i 0.0109 0.4856 0.5935
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.1131 0.1817
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.1131 0.1383
Brugia malayi Troponin T 0.0065 0.2538 0.2538
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0048 0.1682 0.1796
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.1131 0.2041
Schistosoma mansoni troponin I 0.0109 0.4856 0.7799
Brugia malayi Troponin T 0.0065 0.2538 0.2538
Loa Loa (eye worm) hypothetical protein 0.0038 0.1131 0.1131
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.1131 0.2041
Loa Loa (eye worm) hypothetical protein 0.0065 0.2538 0.2538
Loa Loa (eye worm) hypothetical protein 0.0109 0.4856 0.4856
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.1131 0.0513
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0977 0.0977
Onchocerca volvulus Troponin T, skeletal muscle homolog 0.0135 0.6226 1
Schistosoma mansoni troponin I 0.0109 0.4856 0.7799
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.1131 0.1817
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.1131 0.1383
Schistosoma mansoni troponin I 0.0109 0.4856 0.7799
Loa Loa (eye worm) hypothetical protein 0.0035 0.0977 0.0977
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.4198 0.6743
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.1131 0.1383
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.1131 0.0513
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.4198 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.4198 0.5131

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 26.64 % Antidepressant activity in Mus musculus Kunming (mouse) assessed as reduction in immobility time at 10 mg/kg, ip administered 30 min before test by forced swim test relative to control ChEMBL. No reference

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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