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Compound Detail

CHEMBL13221

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CCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H](CO)[C@@H]1OC(C)=O

Basic Information

ChEMBL ID CHEMBL13221
Phase Preclinical
Structure Type MOL
InChI Key ZUKHVOLIPVGCHQ-SLFFLAALSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.54
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H38O5
MW 370.53
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.49

Activity Summary

Ki 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
Ki 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 600.0 nM 6.22 Inhibition of [20-3H]phorbol-12,13-dibutyrate (PDBU) binding to protein kinase C... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80296-6 Protein kinase C, PKC; classical/novel 1
- 10.1016/S0960-894X(00)80296-6 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine