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Compound Detail

CHEMBL281660

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CCCCCCCCCCCCCC(=O)O[C@@H]1CC(=O)O[C@H]1CCO

Basic Information

ChEMBL ID CHEMBL281660
Phase Preclinical
Structure Type MOL
InChI Key RQOIOGONYBLGPL-ZWKOTPCHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
4.30
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.35
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 C20H36O5
MW 356.50
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.16

Activity Summary

Ki 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2855
Ki 6.06 6.06 880.0 1
Protein kinase C alpha type
CHEMBL299
Ki 6.06 6.06 880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80364-4 Protein kinase C (PKC) 1
- 10.1016/S0960-894X(01)80364-4 Protein kinase C alpha type 1
- 10.1016/S0960-894X(01)81002-7 Protein kinase C alpha type 1

Data from ChEMBL 36 via Core Engine