Details of the Drug

General Information of Drug (ID: DMZHVRW)

• Drug Name: 5-Hydroxymethyl-Chonduritol
• Synonyms: Valienol; 5-HYDROXYMETHYL-CHONDURITOL; (1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol; 111136-25-5; AC1NRBPE; CHEMBL1233349; DTXSID50415342

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 176.17
  Logarithm of the Partition Coefficient (xlogp); -2.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C7H12O5
  IUPAC Name: (1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
  Canonical SMILES: C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
  InChI: InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
  InChIKey: PJPGMULJEYSZBS-VZFHVOOUSA-N
• Cross-matching ID:
  PubChem CID: 5288564
  CAS Number: 111136-25-5
  UNII: J5344DZ89S
  DrugBank ID: DB03092
  TTD ID: D0P8YV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pancreatic alpha-amylase (AMY2A)	TTCGSZ4	AMYP_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.