Pelcitoclax
3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid
Molecular Identity
Pelcitoclax
3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid
PubChem CID: 76900653
2D Structure
Properties
C57H66ClF4N6O11PS4
Molecular Formula
1281.90
Molecular Weight
g/mol
1280.3035
Exact Mass
Da
7.5
XLogP
Above Lipinski threshold
275
TPSA
May have limited oral absorption
4
H-Bond Donors
21
H-Bond Acceptors
2490
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)NC(CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)CIsomeric SMILES
SMILES: CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)CSynonyms(20)
Pelcitoclax1619923-36-2APG-1252APG1252317UBD60MLRefChem:170705APG 1252Bcl-2/Bcl-XL Inhibitor APG-1252Pelcitoclax [INN]UNII-317UBD60MLAPG 1252 [WHO-DD]3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acidPELCITOCLAX [WHO-DD]orb1693344CHEMBL4802151
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pelcitoclax
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