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Compound Detail

CHEMBL78679

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CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@@H](CO)C1

Basic Information

ChEMBL ID CHEMBL78679
Phase Preclinical
Structure Type MOL
InChI Key BNGAHEQYKMAXEK-ZWKOTPCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.30
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36O5
MW 356.50
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.22

Activity Summary

Ki 1 meas. best 4.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2213
Ki 4.69 4.69 20500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 20500.0 nM 4.69 Displacement of [3H-20]-phorbol-12-13-dibutyrate from bovine brain protein kinas... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80399-1 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine