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Compound Detail

CHEMBL206332

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CCCCCCCC(=O)OCC1(CO)C/C(=C/CC(CC(C)C)CC(C)C)C(=O)O1

Basic Information

ChEMBL ID CHEMBL206332
Phase Preclinical
Structure Type MOL
InChI Key UJBGCVAQDSYQPK-XKZIYDEJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
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 1.24

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16539391 10.1021/jm0509391 Protein kinase C alpha type 1
16539391 10.1021/jm0509391 W4 1

Data from ChEMBL 36 via Core Engine