Details of the Drug

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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: D3AEF6S35P
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.