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Compound Detail

CHEMBL381693

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

Basic Information

ChEMBL ID CHEMBL381693
Phase Preclinical
Structure Type MOL
InChI Key AKVCUOZKJVRCQK-TZCKLSGESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
4.59
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.46
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 C23H38O5
MW 394.55
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.23

Activity Summary

Ki 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 6.76 6.76 173.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 173.0 nM 6.76 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