Details of the Drug

General Information of Drug (ID: DMEGX8H)

Drug Name

B-2-Octylglucoside

Synonyms

B-2-OCTYLGLUCOSIDE; BGL; AC1L9I1F; SCHEMBL61561; 2-O-octyl-beta-D-glucopyranose; DB03152; (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-octoxyoxane-2,4,5-triol

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

292.37

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C14H28O6
IUPAC Name: (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-octoxyoxane-2,4,5-triol
Canonical SMILES: CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
InChI: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey: BVHPDIWLWHHJPD-RKQHYHRCSA-N

Cross-matching ID

PubChem CID: 445463
DrugBank ID: DB03152
TTD ID: D01ILH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Cytochrome B (Malaria MT-CYB)	TTRAMF0	CYB_PLAFA	Inhibitor	[1]
Rhodopsin (RHO)	TTH0KSX	OPSD_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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