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Compound Detail

CHEMBL420668

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CCCCCCCC/C=C1/CC([C@H](CO)OC(=O)CC(C(C)C)C(C)C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420668
Phase Preclinical
Structure Type MOL
InChI Key DPMZWQWNCUJRDN-ZPKXMVQWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
5.20
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H42O5
MW 410.60
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 1.64

Activity Summary

Ki 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 6.25 6.25 565.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 565.0 nM 6.25 Affinity for protein kinase-C alpha (PK-C alpha) 10966739

Literature References

PubMed DOI Target Context # Activities
10966739 10.1021/jm990613q Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine