Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3393758

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCCCCCCC/C=C1/CC(=O)OC1(CO)COC(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393758
Phase Preclinical
Structure Type MOL
InChI Key GQLCVGQQDYKVCM-DAFNUICNSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

480.7
MW (Da)
7.44
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H52O5
MW 480.73
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness 0.78

Activity Summary

Ki 4 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C epsilon type
CHEMBL3582
 Ki 8.23 7.85 5.9 2
Protein kinase C alpha type
CHEMBL299
 Ki 7.61 7.27 24.5 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C epsilon type Ki = 5.9 nM 8.23 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (u... 25437619
Protein kinase C alpha type Ki = 24.5 nM 7.61 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unk... 25437619
Protein kinase C epsilon type Ki = 34.2 nM 7.47 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (u... 25437619
Protein kinase C alpha type Ki = 117.0 nM 6.93 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unk... 25437619

Literature References

PubMed DOI Target Context # Activities
25437619 10.1016/j.ejmech.2014.11.025 Protein kinase C alpha type 2
25437619 10.1016/j.ejmech.2014.11.025 Protein kinase C epsilon type 2
25437619 10.1016/j.ejmech.2014.11.025 Unchecked 2
25437619 10.1016/j.ejmech.2014.11.025 No relevant target 1

Data from ChEMBL 36 via Core Engine