Details of the Drug

General Information of Drug (ID: DMIQNX9)

Drug Name
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
Synonyms CHEMBL1091214; (2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol; SCHEMBL19831655; BDBM50315250
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) 259.38
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H29NO3
IUPAC Name
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
Canonical SMILES
CCCCCCCCC[C@@H]1[C@@H]([C@H]([C@@H](CN1)O)O)O
InChI
InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-11-13(17)14(18)12(16)10-15-11/h11-18H,2-10H2,1H3/t11-,12-,13+,14+/m1/s1
InChIKey
WVYPOMDXOXCTJU-MQYQWHSLSA-N
Cross-matching ID
PubChem CID
11988371
ChEBI ID
CHEMBL1091214
TTD ID
D0B1WB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.