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Compound Detail

CHEMBL59376

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CC(C)=CC(=O)OC[C@H](CO)OC(=O)C=C(C(C)C)C(C)C

Basic Information

ChEMBL ID CHEMBL59376
Phase Preclinical
Structure Type MOL
InChI Key FOQUFWLSTRWRNU-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.64
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.55
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 C17H28O5
MW 312.41
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.54

Activity Summary

Ki 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2213
Ki 7.17 7.17 68.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384235 10.1021/jm010052e No relevant target 1
11384235 10.1021/jm010052e Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine