Details of the Drug

General Information of Drug (ID: DM48VJR)

• Drug Name: B-Nonylglucoside
• Synonyms: 69984-73-2; B-Nonylglucoside; Nonyl beta-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(nonyloxy)tetrahydro-2H-pyran-3,4,5-triol; Nonyl b-D-glucopyranoside; n-nonyl -d-glucopyranoside; NONYL-beta-D-GLUCOPYRANOSIDE; n-Nonyl -D-glucoside-(1,5);NGP; b-D-Glucopyranoside, nonyl; N-NONYL-BETA-D-GLUCOPYRANOSIDE; BNG; beta-D-Glucopyranoside, nonyl; 4gby; 4gbz; Nonyl -D-glucopyranoside; Nonyl -D-glucopyranoside; AC1L4EB7; SCHEMBL136394; Nonyl-I(2)-D-glucopyranoside; CHEMBL490225; MolPort-002-893-587; C15H30O6; GC1498

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); 306.39
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C15H30O6
  IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
  Canonical SMILES: CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  InChI: InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
  InChIKey: QFAPUKLCALRPLH-UXXRCYHCSA-N
• Cross-matching ID:
  PubChem CID: 155448
  CAS Number: 69984-73-2
  UNII: Q5TS785PG5
  DrugBank ID: DB02451
  TTD ID: D0K1UI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pancreatic triacylglycerol lipase (PNLIP)	TTXMY0J	LIPP_HUMAN	Inhibitor	[1]
Rhodopsin (RHO)	TTH0KSX	OPSD_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.