Details of the Drug

General Information of Drug (ID: DM2VQN5)

• Drug Name: VALIOLAMINE
• Synonyms: Valiolamine; 83465-22-9; Valinolamine; (1S,2S,3R,4S,5S)-5-Amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetraol; Valiolamine hydrate; (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol; CHEMBL222396; AK109366; 4-Amino-3,4-dideoxy-2-C-(hydroxymethyl)-D-epi-inositol hydrate; C7H15NO5; BDBM50241137; D-epi-Inositol, 4-amino-3,4-dideoxy-2-C-(hydroxymethyl)-, hydrate; AC1L5B2J; CHEMBL9216; VDLOJRUTNRJDJO-ZYNSJIGGSA-N; MolPort-005-935-511; ZINC5157081; FCH856530; BDBM50024129; AKOS006287538; API0004565; AC-1555

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 193.2
  Logarithm of the Partition Coefficient (xlogp); -3.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C7H15NO5
  IUPAC Name: (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
  Canonical SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N
  InChI: InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1
  InChIKey: VDLOJRUTNRJDJO-ZYNSJIGGSA-N
• Cross-matching ID:
  PubChem CID: 174312
  CAS Number: 83465-22-9
  TTD ID: D08TQA

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]

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.