VU-0238429

VU-0238429 is a drug which acts as a selective positive allosteric modulator for the muscarinic acetylcholine receptor M₅. It was the first selective ligand developed for the M₅ subtype,^[1] and is structurally derived from older M₁-selective positive allosteric modulators such as VU-0119498.^[2][3] Replacing the O-methyl- by a phenyl group further improves the receptor subtype selectivity.^[4]

VU-0238429

Identifiers
IUPAC name 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indole-2,3-dione
CAS Number	1160247-92-6 Y
PubChem CID	42633508
ChemSpider	24606034 Y
UNII	ZH1ZWF5Q3P
ChEMBL	ChEMBL466253 Y
CompTox Dashboard (EPA)	DTXSID40655290
Chemical and physical data
Formula	C17H12F3NO4
Molar mass	351.281 g·mol−1
3D model (JSmol)	Interactive image Interactive image
SMILES c2cc(OC)ccc2CN(C(=O)C1=O)c3ccc(cc13)OC(F)(F)F COc1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)OC(F)(F)F
InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3 Y Key:CKLGZXFOLMHCMC-UHFFFAOYSA-N Y
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