Detailed information for compound 1075016

Basic information

Technical information
  • TDR Targets ID: 1075016
  • Name: (4R)-2-(5-bromo-2-hydroxyphenyl)-1,3-thiazoli dine-4-carboxylic acid
  • MW: 304.16 | Formula: C10H10BrNO3S
  • H donors: 3 H acceptors: 3 LogP: -0.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1C1N[C@@H](CS1)C(=O)O)Br
  • InChi: 1S/C10H10BrNO3S/c11-5-1-2-8(13)6(3-5)9-12-7(4-16-9)10(14)15/h1-3,7,9,12-13H,4H2,(H,14,15)/t7-,9?/m0/s1
  • InChiKey: YWRRCPQGGUVNQC-JAVCKPHESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4R)-2-(5-bromo-2-hydroxy-phenyl)thiazolidine-4-carboxylic acid
  • (4R)-2-(5-bromo-2-hydroxyphenyl)-4-thiazolidinecarboxylic acid
  • (4R)-2-(5-bromo-2-hydroxy-phenyl)-1,3-thiazolidine-4-carboxylic acid
  • STOCK3S-76021

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
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0227 0.6122 0.9382
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0034 0.0051
Leishmania major cytochrome p450-like protein 0.0237 0.6464 1
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Trypanosoma brucei protein kinase, putative 0.0227 0.6122 0.9382
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0227 0.6122 0.9382
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0945 0.1295
Loa Loa (eye worm) cytochrome P450 family protein 0.0068 0.0934 0.128
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Onchocerca volvulus 0.0041 0.0034 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0227 0.6122 0.9382
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0945 0.1416
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0945 0.0019
Schistosoma mansoni lipoxygenase 0.0244 0.6673 1
Schistosoma mansoni hypothetical protein 0.0068 0.0934 0.1356
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0341 0.9846 1
Echinococcus multilocularis 0.0068 0.0934 0.14
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Trypanosoma cruzi cytochrome P450, putative 0.0237 0.6464 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0945 0.0019
Echinococcus granulosus mitogen activated protein kinase 0.0227 0.6122 0.9174
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0034 0.5
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Brugia malayi Cytochrome P450 family protein 0.0068 0.0934 0.128
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Brugia malayi cytochrome P450 0.0068 0.0934 0.128
Loa Loa (eye worm) cytochrome P450 family protein 0.0237 0.6464 0.9139
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0034 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0227 0.6122 0.9382
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0244 0.6673 1
Schistosoma mansoni cytochrome P450 0.0068 0.0934 0.1356
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0945 0.0019
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Loa Loa (eye worm) cytochrome P450 family protein 0.0237 0.6464 0.9139
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0227 0.6122 0.8653
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0341 0.9846 1
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.6122 0.917
Echinococcus granulosus RUN 0.0041 0.0034 0.0051
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0154 0.3747 0.3156
Brugia malayi MAP kinase sur-1 0.0227 0.6122 0.8653
Trypanosoma brucei cytochrome P450, putative 0.0237 0.6464 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0945 0.0019
Brugia malayi Cytochrome P450 family protein 0.0237 0.6464 0.9139
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0945 0.1295
Giardia lamblia Kinase, CMGC MAPK 0.0227 0.6122 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0244 0.6673 1
Loa Loa (eye worm) cytochrome P450 0.0068 0.0934 0.128
Schistosoma mansoni lipoxygenase 0.017 0.4274 0.6387
Echinococcus multilocularis RUN 0.0041 0.0034 0.0051
Onchocerca volvulus 0.0041 0.0034 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0227 0.6122 1
Loa Loa (eye worm) CYP4Cod1 0.0237 0.6464 0.9139
Echinococcus multilocularis mitogen activated protein kinase 3 0.0227 0.6122 0.9174
Brugia malayi Cytochrome P450 family protein 0.0068 0.0934 0.128
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0237 0.6464 0.6205
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0945 0.1373
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0945 0.5
Brugia malayi Cytochrome P450 family protein 0.0237 0.6464 0.9139
Loa Loa (eye worm) hypothetical protein 0.0169 0.423 0.5965
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.7069 1
Echinococcus multilocularis mitogen activated protein kinase 0.0227 0.6122 0.9174
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0227 0.6122 0.9382
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0227 0.6122 0.9382
Echinococcus granulosus cytochrome P450 2K1 0.0068 0.0934 0.14
Brugia malayi follicle stimulating hormone receptor 0.0256 0.7069 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0341 0.9846 1
Trypanosoma cruzi cytochrome P450, putative 0.0237 0.6464 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0227 0.6122 0.9174
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0034 0.0051
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0227 0.6122 0.9382
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0945 0.1416

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 25 ug ml-1 Antibacterial activity against Escherichia coli ATCC 35218 after 24 hrs by MTT method ChEMBL. 19423200

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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