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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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