Drug Information

Drug General Information
Drug ID
D0H2SL
Former ID
DNC006921
Drug Name
2-(4-bromo-2-tert-butylphenoxy)acetic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528566]
Formula
C12H15BrO3
Canonical SMILES
CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)O
InChI
1S/C12H15BrO3/c1-12(2,3)9-6-8(13)4-5-10(9)16-7-11(14)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey
GCBNGPDJYUPSBS-UHFFFAOYSA-N
PubChem Compound ID
719761
Target and Pathway
Target(s) Putative G-protein coupled receptor 44 Target Info Inhibitor [528566]
Reactome Prostanoid ligand receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 528566J Med Chem. 2006 Nov 16;49(23):6638-41.Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits.
Ref 528566J Med Chem. 2006 Nov 16;49(23):6638-41.Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits.