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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
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)

MIA Detail

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.