Compound Detail

CHEMBL428593

GLYCERYL MONOOLEATE

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CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL428593
Name	GLYCERYL MONOOLEATE
Phase	Preclinical
Structure Type	MOL
InChI Key	RZRNAYUHWVFMIP-KTKRTIGZSA-N

Known Names

.alpha.-monoolein 1-mono(cis-9-octacenoyl)glycerol 1-monoolein 1-monooleoyl-rac-glycerol FEMA NO. 2526 Glycerol 1-monooleate Glycerol monooleate Glyceryl 1-oleate Glyceryl mono-oleate Glyceryl monooleate Glyceryl monooleate 40 Glyceryl monooleate 40% +11 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

356.6

MW (Da)

4.92

ALogP

HBA

HBD

66.8

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Flags

Natural Product

Extended Properties

Molecular Formula	C21H40O4
MW	356.55
Aromatic Rings	0
Heavy Atoms	25
NP-Likeness	1.07

Activity Summary

Ki 1 meas. best 4.04

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Diacylglycerol kinase alpha CHEMBL4105787	Ki	4.04	4.04	91000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Diacylglycerol kinase alpha	Ki	=	91000.0	nM	4.04	Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated...	30611057

Literature References

PubMed	DOI	Target Context	# Activities
18487046	10.1016/j.bmcl.2008.05.008	Prostaglandin G/H synthase 2	1
18487046	10.1016/j.bmcl.2008.05.008	Phospholipase A2, membrane associated	1
30611057	10.1016/j.ejmech.2018.12.061	Diacylglycerol kinase alpha	1

Data from ChEMBL 36 via Core Engine