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

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.