Venglustat
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
Molecular Identity
Venglustat
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
PubChem CID: 60199242
2D Structure
Properties
C20H24FN3O2S
Molecular Formula
389.50
Molecular Weight
g/mol
389.1573
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
82.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
533
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)OC3CN4CCC3CC4Isomeric SMILES
SMILES: CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4Synonyms(20)
IbiglustatVenglustat1401090-53-6Genz-682452GZ/SAR402671SAR402671Genz-682452-AABLP1XA3FZAGZ402671GZ-402671SAR-402671GZ/SAR-402671[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamateCarbamic acid, N-(1-(2-(4-fluorophenyl)-4-thiazolyl)-1-methylethyl)-, (3S)-1-azabicyclo(2.2.2)oct-3-yl esterCarbamic acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3S)-1-azabicyclo[2.2.2]oct-3-yl ester
Data from PubChem (NCBI)
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