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Compound Detail

CHEMBL205670

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

Basic Information

ChEMBL ID CHEMBL205670
Phase Preclinical
Structure Type MOL
InChI Key SOHYAFLNBBMJIR-SRZZPIQSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
5.20
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H42O5
MW 410.60
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.37

Activity Summary

Ki 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 6.83 6.83 147.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 147.0 nM 6.83 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