General Information of Drug (ID: DMMO75G)

Drug Name
B-Octylglucoside
Synonyms
29836-26-8; Octyl-beta-D-glucopyranoside; OCTYL BETA-D-GLUCOPYRANOSIDE; Octyl beta-D-glucoside; Octyl glucoside; Octyl b-D-Glucopyranoside; n-Octyl-beta-D-Glucoside; 1-O-n-Octyl-beta-D-glucopyranoside; Octyl-beta-D-glucoside; beta-D-Octyl glucoside; 1-O-Octyl-beta-D-glucopyranoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(octyloxy)tetrahydro-2H-pyran-3,4,5-triol; UNII-V109WUT6RL; n-Octyl glucoside; n-Octyl-beta-D-glucopyranoside; Octyl-beta-D-Glucopyranose; Octyl; V109WUT6RL
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,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Canonical SMILES
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
HEGSGKPQLMEBJL-RKQHYHRCSA-N
Cross-matching ID
PubChem CID
62852
ChEBI ID
CHEBI:41128
CAS Number
29836-26-8
TTD ID
D02UVH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Apolipoprotein A-II (APOA2) TTGQA9W APOA2_HUMAN Inhibitor [1]
Gastric triacylglycerol lipase (LIPF) TTKYZA9 LIPG_HUMAN Inhibitor [1]
Glucocorticoid receptor (NR3C1) TTYRL6O GCR_HUMAN Inhibitor [1]
Group IIA phospholipase A2 (GIIA sPLA2) TTO8QRU PA2GA_HUMAN Inhibitor [1]
Influenza M2 protein (Influ M) TTXT3PU M2_I34A1 Inhibitor [1]
Lanosterol synthase (LSS) TT7O8ZA ERG7_HUMAN Inhibitor [1]
Mineralocorticoid receptor (MR) TT26PHO MCR_HUMAN Inhibitor [1]
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Inhibitor [1]
Pancreatic triacylglycerol lipase (PNLIP) TTXMY0J LIPP_HUMAN Inhibitor [1]
Plasmodium Cytochrome B (Malaria MT-CYB) TTRAMF0 CYB_PLAFA Inhibitor [1]
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) TT3PQ2Y PYRD_PLAF7 Inhibitor [1]
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Inhibitor [1]
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [1]
Rhodopsin (RHO) TTH0KSX OPSD_HUMAN Inhibitor [1]
Steryl-sulfatase (STS) TTHM0R1 STS_HUMAN Inhibitor [1]
Stress-activated protein kinase 2a (p38 alpha) TTQBR95 MK14_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.