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Compound Detail

CHEMBL26734

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CCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CO

Basic Information

ChEMBL ID CHEMBL26734
Phase Preclinical
Structure Type MOL
InChI Key XURQHWANHULUKZ-KGLIPLIRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.74
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.47
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 C16H28O5
MW 300.40
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.43

Activity Summary

Ki 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 4100.0 nM 5.39 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