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Compound Detail

CHEMBL369061

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CCCCCCCCC/C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369061
Phase Preclinical
Structure Type MOL
InChI Key CNIXVXXLFHNKNC-KGENOOAVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.59
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H44O5
MW 424.62
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.50

Activity Summary

Ki 1 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 8.02 8.02 9.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 9.5 nM 8.02 Binding Affinity against protein kinase C alpha 10715158

Literature References

PubMed DOI Target Context # Activities
10715158 10.1021/jm9904607 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine