Chemical Component Summary

Name4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Identifiers4-bromo-3-(carboxymethyloxy)-5-phenyl-thiophene-2-carboxylic acid
FormulaC13 H9 Br O5 S
Molecular Weight357.177
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br
InChIInChI=1S/C13H9BrO5S/c14-9-10(19-6-8(15)16)12(13(17)18)20-11(9)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKeyMVDWLRCTJUXCCB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB07130 
Name4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Groups experimental
Synonyms4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein phosphatase non-receptor type 1MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL213758
PubChem 9547959
ChEMBL CHEMBL213758