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Compound Detail

CHEMBL26811

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CCCCCCCCCCC/C=C1/C(=O)O[C@@H](CO)[C@@]12CCC(=O)O2

Basic Information

ChEMBL ID CHEMBL26811
Phase Preclinical
Structure Type MOL
InChI Key ZSIMWRUOFFHXMF-YTWOYLGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.83
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H32O5
MW 352.47
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.97

Activity Summary

Ki 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 4.87 4.87 13600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 13600.0 nM 4.87 Binding affinity (Ki) towards Protein kinase C 8176711

Literature References

PubMed DOI Target Context # Activities
8176711 10.1021/jm00035a013 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine