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Compound Detail

CHEMBL293709

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

Basic Information

ChEMBL ID CHEMBL293709
Phase Preclinical
Structure Type MOL
InChI Key RCWWDGYRVMTSSO-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.45
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22O5
MW 258.31
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.63

Activity Summary

Ki 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2213
Ki 5.75 5.75 1800.0 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