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Compound Detail

CHEMBL26440

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CCCCCCCC(=O)OCC(COC)OC(=O)CCCCCCC

Basic Information

ChEMBL ID CHEMBL26440
Phase Preclinical
Structure Type MOL
InChI Key UZJUOSCDDMIVDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
4.81
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H38O5
MW 358.52
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.61

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 100000.0 nM 4.0 Inhibition of protein kinase C -

Literature References

PubMed DOI Target Context # Activities
22738638 10.1016/j.bmcl.2012.05.101 Cannabinoid receptor 2 2
- 10.1016/S0960-894X(01)80433-9 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(01)80433-9 MR4 1
- 10.1016/S0960-894X(01)80433-9 HT-29 1
22738638 10.1016/j.bmcl.2012.05.101 Cannabinoid receptor 1 1
22738638 10.1016/j.bmcl.2012.05.101 Monoglyceride lipase 1
22738638 10.1016/j.bmcl.2012.05.101 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine