General Information of Drug (ID: DM5KU8S)

Drug Name
1-oleoyl glycerol
Synonyms
2,3-Dihydroxypropyl oleate; Monoolein; Glyceryl monooleate; 1-Monoolein; 111-03-5; 1-Oleoylglycerol; Glyceryl oleate; 1-Oleoyl-rac-glycerol; 1-Glyceryl oleate; 1-Monooleoylglycerol; Glycerol 1-monooleate; rac-1-Monoolein; Aldo MO; Aldo HMO; Danisco MO 90; 1-Monooleoyl-rac-glycerol; Glycerin 1-monooleate; Monooleoylglycerol; Oleic monoglyceride; rac-1-Monooleoylglycerol; Olein, 1-mono-; Oleoylglycerol; Olicine; Peceol; Supeol; alpha-Monoolein; Sinnoester ogc; Oleylmonoglyceride; Emalsy MO; Emalsy OL; Dimodan LSQK; Glycerol alpha-monooleat
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 356.5
Logarithm of the Partition Coefficient (xlogp) 6.5
Rotatable Bond Count (rotbonds) 19
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H40O4
IUPAC Name
2,3-dihydroxypropyl (Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey
RZRNAYUHWVFMIP-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
5283468
ChEBI ID
CHEBI:75342
CAS Number
111-03-5
DrugBank ID
DB13171
TTD ID
D02XKE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucose-dependent insulinotropic receptor (GPR119) TT7QNVC GP119_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5756).
2 2-Oleoyl glycerol is a GPR119 agonist and signals GLP-1 release in humans. J Clin Endocrinol Metab. 2011 Sep;96(9):E1409-17.