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]
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.