Details of the Drug

General Information of Drug (ID: DMRO9C7)

Drug Name
(R)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol
Synonyms CHEMBL87169; (R)-2,6-Bis-hydroxymethyl-piperidine-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): 2 Molecular Weight (mw) 193.2
Logarithm of the Partition Coefficient (xlogp) -2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C7H15NO5
IUPAC Name
(3R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol
Canonical SMILES
C(C1[C@H](C(C(C(N1)CO)O)O)O)O
InChI
InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3?,4?,5-,6?,7?/m1/s1
InChIKey
CLVUFWXGNIFGNC-BQHSNLCNSA-N
Cross-matching ID
PubChem CID
44320078
ChEBI ID
CHEMBL87169
TTD ID
D0Q1KL
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
Lysosomal alpha-glucosidase (GAA) TTLPC70 LYAG_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Homonojirimycin isomers and N-alkylated homonojirimycins: structural and conformational basis of inhibition of glycosidases. J Med Chem. 1998 Jul 2;41(14):2565-71.