Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H2SL
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| Former ID |
DNC006921
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| Drug Name |
2-(4-bromo-2-tert-butylphenoxy)acetic acid
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| Synonyms |
2-[4-BROMO-2-(TERT-BUTYL)PHENOXY]ACETIC ACID; 425372-86-7; 2-(4-bromo-2-tert-butylphenoxy)acetic acid; (4-bromo-2-tert-butylphenoxy)acetic acid; CHEMBL386348; 2-(4-bromo-2-(tert-butyl)phenoxy)acetic acid; 2-[2-(tert-butyl)-4-bromophenoxy]acetic acid; CBMicro_046462; AC1LEXUE; Oprea1_645612; Oprea1_576852; ARONIS011292; SCHEMBL12478128; CTK7J5471; BBB/316; MolPort-000-651-933; GCBNGPDJYUPSBS-UHFFFAOYSA-N; ZINC120478; KS-000042GS; ZX-AS003555; ZX-AL002245; SBB043460; STK948100; BDBM50200269; 3158AE; AKOS000273807; MCULE-9342897788
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C12H15BrO3
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| Canonical SMILES |
CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)O
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| 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)
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| InChIKey |
GCBNGPDJYUPSBS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Prostaglandin D2 receptor 2 (PTGDR2) | Target Info | Inhibitor | [1] |
| Reactome | Prostanoid ligand receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. J Med Chem. 2006 Nov 16;49(23):6638-41. | |||
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