Details of the Drug

General Information of Drug (ID: DM7GI94)

Drug Name
(2R,3S,4S,5R)-2-propylpiperidine-3,4,5-triol
Synonyms CHEMBL1089185; (2R,3S,4S,5R)-2-propylpiperidine-3,4,5-triol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 175.23
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H17NO3
IUPAC Name
(2R,3S,4S,5R)-2-propylpiperidine-3,4,5-triol
Canonical SMILES
CCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O
InChI
InChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKey
JFOGNLDWQBZRQJ-NGJRWZKOSA-N
Cross-matching ID
PubChem CID
46884602
TTD ID
D06YQR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucosylceramidase (GBA) TT1B5PU GLCM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis of new beta-1-C-alkylated imino-L-iditols: A comparative study of their activity as beta-glucocerebrosidase inhibitors. Bioorg Med Chem. 2010 Apr 1;18(7):2645-50.