Name: Encequidar, HCl
Rating: 5 (10 reviews)

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HIT ID:HIT220913395
Cas No:849675-88-3
常用名:Encequidar, HCl
IUPAC:N-[2-(2-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-2H-1,2,3,4-tetrazol-5-yl)-4,5-dimethoxyphenyl]-4-oxo-4H-chromene-2-carboxamide hydrochloride
IUPAC:N-[2-(2-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-2H-1,2,3,4-tetrazol-5-yl)-4,5-dimethoxyphenyl]-4-oxo-4H-chromene-2-carboxamide hydrochloride
InChI key:InChIKey=KAQQJKZDBBMBEZ-UHFFFAOYSA-N

分子式:C38H37ClN6O7
分子量:725.2
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
SMILES:Cl.COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC

Encequidar, also known as HM-30181, is an oral P-glycoprotein (P-gp) inhibitor developed to enhance the oral bioavailability of P-gp substrate drugs. Encequidar showed the highest potency (IC(50)=0.63nM) among several MDR1 inhibitors, including cycloporin A, XR9576, and GF120918, and effectively blocked transepithelial transport of paclitaxel in MDCK monolayers (IC(50)=35.4nM). Encequidar is currently under clinical trials.

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