MS33
N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[3-[4-(4-methylpiperazin-1-yl)-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]phenyl]phenyl]methyl]piperazin-1-yl]ethyl]undecanediamide
Molecular Identity
MS33
N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[3-[4-(4-methylpiperazin-1-yl)-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]phenyl]phenyl]methyl]piperazin-1-yl]ethyl]undecanediamide
PubChem CID: 153380128
2D Structure
Properties
C64H84F3N11O7S
Molecular Formula
1208.50
Molecular Weight
g/mol
1207.6228
Exact Mass
Da
7.1
XLogP
Above Lipinski threshold
240
TPSA
May have limited oral absorption
6
H-Bond Donors
16
H-Bond Acceptors
2320
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(18)
MS332407449-11-8N1-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)-N11-(2-(4-((4'-(4-methylpiperazin-1-yl)-3'-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamido)-[1,1'-biphenyl]-3-yl)methyl)piperazin-1-yl)ethyl)undecanediamideWDR5 degrader MS169orb1690924SCHEMBL23270877SCHEMBL29921202GLXC-25903GLXC-27858MS169AKOS040757655DA-65685HY-141797CS-0213516EN300-44825995
Data from PubChem (NCBI)
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Drug Network
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