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Compound Detail

CHEMBL28837

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

Basic Information

ChEMBL ID CHEMBL28837
Phase Preclinical
Structure Type MOL
InChI Key SJIRXOAJZXJAKQ-MOPGFXCFSA-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)
0.32
QED
0
Ro5 Violations
16
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 0.95

Activity Summary

Ki 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL2855
Ki 5.83 5.83 1470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C alpha type Ki = 1470.0 nM 5.83 Inhibition of [3H]PDBU binding to Protein kinase C alpha -

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

Data from ChEMBL 36 via Core Engine