Details of the Drug

General Information of Drug (ID: DMVKQT8)

• Drug Name: SALACINOL
• Synonyms: SALACINOL; 200399-47-9; CHEMBL239249; CHEMBL1208974; AC1O52U7; BDBM50180585; BDBM50330955; FT-0674499; 1,4-dideoxy-1,4-{(S)-[(2S,3S)-2,4-dihydroxy-3-(sulfooxy)butyl]episulfoniumylidene}-D-arabinitol; 1,4-Dideoxy-1,4-[(S)-[(2S,3S)-2,4-dihydroxy-3-(sulfooxy)butyl]episulfoniumylidene]-D-arabinitol Inner Salt; [(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl] sulfate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 334.4
  Logarithm of the Partition Coefficient (xlogp); -3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C9H18O9S2
  IUPAC Name: [(2S,3S)-4-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-1,3-dihydroxybutan-2-yl] sulfate
  Canonical SMILES: C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O
  InChI: InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6-,7+,8-,9+,19?/m1/s1
  InChIKey: SOWRVDSZMRPKRG-XESHOGEWSA-N
• Cross-matching ID:
  PubChem CID: 6451151
  CAS Number: 200399-47-9
  TTD ID: D07TSW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_HUMAN	Inhibitor	[1]
Lysosomal alpha-glucosidase (GAA)	TTLPC70	LYAG_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24

References

• [1] Probing the active-site requirements of human intestinal N-terminal maltase-glucoamylase: Synthesis and enzyme inhibitory activities of a six-membe... Bioorg Med Chem. 2010 Nov 15;18(22):7794-8.
• [2] Alpha-glucosidase inhibitor from Kothala-himbutu (Salacia reticulata WIGHT). J Nat Prod. 2008 Jun;71(6):981-4.