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Compound Detail

CHEMBL378380

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CC(C)CCC1(CCC(C)C)CC(CO)(COC(=O)C(C)(C)C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378380
Phase Preclinical
Structure Type MOL
InChI Key CJHAWHHDXWQNTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.11
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H38O5
MW 370.53
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.83

Activity Summary

Ki 1 meas. best 4.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 4.74 4.74 18300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 18300.0 nM 4.74 Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatid... 16539391

Literature References

PubMed DOI Target Context # Activities
16539391 10.1021/jm0509391 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine