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Compound Detail

CHEMBL203607

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

Basic Information

ChEMBL ID CHEMBL203607
Phase Preclinical
Structure Type MOL
InChI Key YNSHOHKDVJINOC-MRUKODCESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.7
MW (Da)
6.33
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H50O5
MW 466.70
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 1.05

Activity Summary

Ki 1 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16539391 10.1021/jm0509391 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine