Details of the Drug

General Information of Drug (ID: DM7DW0G)

• Drug Name: 4-formylphenyl-O-beta-D-ribopyranoside
• Synonyms: CHEMBL499285; 4-formylphenyl-O-beta-D-ribopyranoside; 4-formylphenyl beta-d-ribopyranoside; BDBM50245887

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 254.24
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C12H14O6
  IUPAC Name: 4-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxybenzaldehyde
  Canonical SMILES: C1[C@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C=O)O)O)O
  InChI: InChI=1S/C12H14O6/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-5,9-12,14-16H,6H2/t9-,10-,11-,12+/m1/s1
  InChIKey: QGBRWWHJQCFYEI-KKOKHZNYSA-N
• Cross-matching ID:
  PubChem CID: 24796254
  TTD ID: D0FS3L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Synthesis and biological evaluation of helicid analogues as novel acetylcholinesterase inhibitors. Eur J Med Chem. 2008 Jan;43(1):166-73.