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Compound Detail

CHEMBL205248

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CCCCCCCC(=O)OCC1(CO)CC/C(=C\CC(CC(C)C)CC(C)C)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205248
Phase Preclinical
Structure Type MOL
InChI Key ZRYLKIYLIIRRIN-YDZHTSKRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
5.98
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.19
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 C26H46O5
MW 438.65
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.32

Activity Summary

Ki 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 6.89 6.89 129.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 129.0 nM 6.89 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