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Compound Detail

CHEMBL208568

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COc1cccc(C(=O)OCC2(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208568
Phase Preclinical
Structure Type MOL
InChI Key LPMUMWAFCAHQNA-GIJQJNRQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.77
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.50
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 C23H32O6
MW 404.50
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.88

Activity Summary

Ki 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 39.0 nM 7.41 Displacement of [20-3H]PDBU from recombinant PKCalpha in presence of phosphatidy... 16722637

Literature References

PubMed DOI Target Context # Activities
16722637 10.1021/jm060011o Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine