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Compound Detail

CHEMBL368472

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CCCCCCOC(=O)/C=C/[C@]1(CO)C/C(=C\CC(C(C)C)C(C)C)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368472
Phase Preclinical
Structure Type MOL
InChI Key ZCHNHMBJTXBRMA-QESWBJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
4.59
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38O5
MW 394.55
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.35

Activity Summary

Ki 1 meas. best 7.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 7.53 7.53 29.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 29.5 nM 7.53 Binding Affinity against protein kinase C alpha 10715158

Literature References

PubMed DOI Target Context # Activities
10715158 10.1021/jm9904607 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine