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Compound Detail

CHEMBL26341

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

Basic Information

ChEMBL ID CHEMBL26341
Phase Preclinical
Structure Type MOL
InChI Key JTPWKHMDSHSVHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.73
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.20
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 C21H38O6
MW 386.53
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.72

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 10000.0 nM 5.0 Inhibition of protein kinase C -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80433-9 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(01)80433-9 MR4 1

Data from ChEMBL 36 via Core Engine