PRT3789
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[(2S)-1-[(3R)-3-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]pyrrolidin-1-yl]propan-2-yl]oxy-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular Identity
PRT3789
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[(2S)-1-[(3R)-3-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]pyrrolidin-1-yl]propan-2-yl]oxy-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID: 168152471
2D Structure
Properties
C47H58N10O6S
Molecular Formula
891.10
Molecular Weight
g/mol
890.4262
Exact Mass
Da
5
XLogP
Above Lipinski threshold
214
TPSA
May have limited oral absorption
4
H-Bond Donors
15
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
PRT3789SMARCA2 degrader-172755761-78-3A1BB4orb2663586SCHEMBL26957018GTPL13837PRT-3789EX-A11407AT48493compound 1 [WO2024076985A2]AC-38340HY-159607(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[(2S)-1-[(3R)-3-[(10S)-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-12-yl]pyrrolidin-1-yl]propan-2-yl]oxy-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Data from PubChem (NCBI)
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