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Compound Detail

CHEMBL26971

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CCCCCCCCCCCC[C@@H]1C(=O)O[C@]2(CO)CC(=O)O[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26971
Phase Preclinical
Structure Type MOL
InChI Key UECAYBNICJTDCT-WDYCEAGBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.52
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.43
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 C19H32O5
MW 340.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.71

Activity Summary

Ki 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
 Ki 5.12 5.12 7600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 7600.0 nM 5.12 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