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Compound Detail

CHEMBL174028

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CCCC(=O)OCC1(CO)C/C(=C\C=C(C(C)C)C(C)C)C(=O)O1

Basic Information

ChEMBL ID CHEMBL174028
Phase Preclinical
Structure Type MOL
InChI Key XYBPGFSVLQRAHV-OVCLIPMQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
3.17
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30O5
MW 338.44
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.30

Activity Summary

Ki 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 7.29 7.29 51.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 51.0 nM 7.29 Binding Affinity against protein kinase C alpha 10715158

Literature References

PubMed DOI Target Context # Activities
10715158 10.1021/jm9904607 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine