Name: Pelcitoclax
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321371
Cas No:1619923-36-2
常用名:Pelcitoclax
IUPAC:(3-{1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carbonyloxy}propyl)phosphonic acid
IUPAC:(3-{1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carbonyloxy}propyl)phosphonic acid
InChI key:QIOCQCYXBYUYLH-YACUFSJGSA-N

分子式:C57H66ClF4N6O11PS4
分子量:1281.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O
SMILES:CC(C)n1c(C)c(c(c1-c1ccc(Cl)cc1)-c1cc(F)cc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1)S(C)(=O)=O

Pelcitoclax (APG-1252) is a powerful inhibitor of the Bcl-2 and Bcl-xl proteins, displaying significant antineoplastic and pro-apoptotic properties[1].

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