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Compound Detail

CHEMBL506586

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CCCCCC/C=C1/CC(CO)(COC(=O)C(CC)CCCC)OC1=O

Basic Information

ChEMBL ID CHEMBL506586
Phase Preclinical
Structure Type MOL
InChI Key OPTBYOCIOURYNC-AQTBWJFISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.32
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36O5
MW 368.51
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.42

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2567
Ki 7.82 7.82 15.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 15.2 nM 7.82 Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting 18698758

Literature References

PubMed DOI Target Context # Activities
18698758 10.1021/jm8001907 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine