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Compound Detail

CHEMBL363418

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CC(C)CC(C/C=C1\CC(CO)(COCC(C)(C)C)OC1=O)CC(C)C

Basic Information

ChEMBL ID CHEMBL363418
Phase Preclinical
Structure Type MOL
InChI Key OEXHUZRSQNHBKQ-DJKKODMXSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.6
MW (Da)
4.75
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H40O4
MW 368.56
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.08

Activity Summary

Ki 3 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C delta type
CHEMBL2996
Ki 5.72 5.72 1890.0 1
Protein kinase C alpha type
CHEMBL299
Ki 4.84 4.84 14290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16134942 10.1021/jm050352m Protein kinase C delta type 2
16134942 10.1021/jm050352m Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine