Detailed information for compound 435115

Basic information

Technical information
  • TDR Targets ID: 435115
  • Name: 2-(5-bromo-2-hydroxyphenyl)-1,3-thiazolidine- 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(cc1C1NC(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)
  • InChiKey: YWRRCPQGGUVNQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(5-bromo-2-hydroxy-phenyl)thiazolidine-4-carboxylic acid
  • 2-(5-bromo-2-hydroxyphenyl)-4-thiazolidinecarboxylic acid
  • 2-(5-bromo-2-hydroxy-phenyl)-1,3-thiazolidine-4-carboxylic acid
  • 2-(5-bromo-2-hydroxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate
  • 2-(5-bromo-2-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate
  • 2-(5-bromo-2-hydroxyphenyl)-4-thiazolidin-3-iumcarboxylate
  • 2-(5-bromo-2-hydroxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate
  • A2306/0097249
  • AF-399/37275011
  • EU-0085902

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
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0034 0.5
Brugia malayi follicle stimulating hormone receptor 0.0256 0.7069 1
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
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Treponema pallidum penicillin-binding protein (pbp-1) 0.0345 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0945 0.1416
Loa Loa (eye worm) cytochrome P450 family protein 0.0237 0.6464 0.9139
Onchocerca volvulus 0.0041 0.0034 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0227 0.6122 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0341 0.9846 1
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.6122 0.917
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.7069 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0945 0.5
Brugia malayi Cytochrome P450 family protein 0.0068 0.0934 0.128
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0227 0.6122 0.9382
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0945 0.0019
Brugia malayi Cytochrome P450 family protein 0.0237 0.6464 0.9139
Loa Loa (eye worm) cytochrome P450 0.0068 0.0934 0.128
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0945 0.0019
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0034 0.0051
Loa Loa (eye worm) cytochrome P450 family protein 0.0237 0.6464 0.9139
Schistosoma mansoni hypothetical protein 0.0068 0.0934 0.1356
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0034 0.5
Brugia malayi Cytochrome P450 family protein 0.0068 0.0934 0.128
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0945 0.1295
Echinococcus multilocularis mitogen activated protein kinase 0.0227 0.6122 0.9174
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0227 0.6122 0.9382
Giardia lamblia Kinase, CMGC MAPK 0.0227 0.6122 0.5
Echinococcus granulosus RUN 0.0041 0.0034 0.0051
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0945 0.1416
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Brugia malayi Cytochrome P450 family protein 0.0237 0.6464 0.9139
Schistosoma mansoni lipoxygenase 0.017 0.4274 0.6387
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0945 0.1373
Trypanosoma brucei protein kinase, putative 0.0227 0.6122 0.9382
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Brugia malayi MAP kinase sur-1 0.0227 0.6122 0.8653
Onchocerca volvulus 0.0041 0.0034 0.5
Echinococcus multilocularis RUN 0.0041 0.0034 0.0051
Trypanosoma cruzi cytochrome P450, putative 0.0237 0.6464 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0341 0.9846 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.423 0.5965
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0034 0.0051
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0345 1 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0227 0.6122 0.9382
Echinococcus multilocularis 0.0068 0.0934 0.14
Loa Loa (eye worm) cytochrome P450 family protein 0.0068 0.0934 0.128
Echinococcus multilocularis mitogen activated protein kinase 3 0.0227 0.6122 0.9174
Loa Loa (eye worm) CYP4Cod1 0.0237 0.6464 0.9139
Echinococcus granulosus mitogen activated protein kinase 3 0.0227 0.6122 0.9174
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0227 0.6122 0.9382
Echinococcus granulosus cytochrome P450 2K1 0.0068 0.0934 0.14
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0231 0.6248 0.5963
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0244 0.6673 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0237 0.6464 0.6205
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0227 0.6122 0.9382
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0227 0.6122 0.9382
Trypanosoma cruzi cytochrome P450, putative 0.0237 0.6464 1
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Leishmania major cytochrome p450-like protein 0.0237 0.6464 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0227 0.6122 0.8653
Brugia malayi cytochrome P450 0.0068 0.0934 0.128
Schistosoma mansoni cytochrome P450 0.0068 0.0934 0.1356
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Trichomonas vaginalis CMGC family protein kinase 0.0227 0.6122 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0945 0.1295
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0341 0.9846 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0945 0.0019
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0034 0.0051
Schistosoma mansoni lipoxygenase 0.0244 0.6673 1
Trypanosoma brucei cytochrome P450, putative 0.0237 0.6464 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0244 0.6673 1
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0154 0.3747 0.3156
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0227 0.6122 0.9382

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of bovine low molecular weight PTP expressed in Escherichia coli BL21(D3) cells ChEMBL. 17367895

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

1 literature reference was collected for this gene.

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