Details of the Drug

General Information of Drug (ID: DM6RKOC)

Drug Name
L-Isofagomine
Synonyms L-Isofagomine; CHEMBL501385; ( )-Isofagomine; SCHEMBL2435882; BDBM50263043
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) 147.17
Logarithm of the Partition Coefficient (xlogp) -1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H13NO3
IUPAC Name
(3S,4S,5S)-5-(hydroxymethyl)piperidine-3,4-diol
Canonical SMILES
C1[C@H]([C@@H]([C@H](CN1)O)O)CO
InChI
InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m0/s1
InChIKey
QPYJXFZUIJOGNX-ZLUOBGJFSA-N
Cross-matching ID
PubChem CID
44578588
TTD ID
D00MFZ

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 In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures. Bioorg Med Chem. 2008 Aug 1;16(15):7330-6.