Orvepitant

更新时间：2025-08-26 22:40:27

Orvepitant用途

Orvepitant (GW823296) is a potent and selective, brain penetrant NK1 receptor antagonist with pKi of 10.2.

英文名	(2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
英文别名	更多

分子式	C₃₁H₃₅F₇N₄O₂
分子量	628.62400
精确质量	628.26500
PSA	47.10000
LogP	6.61050
InChIKey	XWNBGDJPEXZSQM-VZOBGQTKSA-N
SMILES	Cc1cc(F)ccc1C1CC(N2CCN3C(=O)CCC3C2)CCN1C(=O)N(C)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

Orvepitant上游产品 0
Orvepitant下游产品 1
CAS号579475-24-4 Orvepitant maleate

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (...
来源：NCGC
External Id：IP6K1-p1

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
来源：NCGC
External Id：CYP3A4437

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
来源：NCGC
External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
来源：NCGC
External Id：CYP2C9536

实验名称：qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma t...
来源：NCGC
靶标：N/A
External Id：MCC011

实验名称：Primary qHTS for Identification of Calcium Integrin Binding Protein 1 (CIB1) Competit...
来源：NCGC
External Id：CIB1-p1-p2

实验名称：Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screeni...
来源：NCGC
靶标：N/A
External Id：CPF001

实验名称：Primary Screen for Target Class Profiling of Small Molecule Inhibitors of Methyltrans...
来源：NCGC
External Id：MTASE-p

实验名称：Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve...
来源：NCGC
靶标：N/A
External Id：OBG420

实验名称：Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i...
来源：NCGC
External Id：NSD2-synergy-p-2C

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Orvepitant