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Compound Detail

CHEMBL291104

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CC(C)C/C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O

Basic Information

ChEMBL ID CHEMBL291104
Phase Preclinical
Structure Type MOL
InChI Key OZBVCLQSUOXWKI-PXNMLYILSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.50
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.51
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 C20H34O5
MW 354.49
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.68

Activity Summary

Ki 1 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 7.82 7.82 15.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12699375 10.1021/jm020476o No relevant target 1
12699375 10.1021/jm020476o Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine