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

CHEMBL3262937

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
CC(C)(C)C(=O)OCC1(CO)C/C(=C\c2ccc(C(=O)O)cc2)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262937
Phase Preclinical
Structure Type MOL
InChI Key WKFXHRHRVROGQN-RIYZIHGNSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
110.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O7
MW 362.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.75

Activity Summary

Ki 6 meas. best 6.18
Kd 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.18 5.4933 667.0 6
Protein kinase C delta type
CHEMBL2560
 Kd 5.97 5.97 1070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 667.0 nM 6.18 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain S10R muta... 24684293
Unchecked Ki = 880.0 nM 6.06 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain N7R mutan... 24684293
Unchecked Ki = 998.0 nM 6.0 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain P11R muta... 24684293
Protein kinase C delta type Kd = 1070.0 nM 5.97 Displacement of [20-3H]PDBu from GST-tagged full-length mouse PKC-delta C1B doma... 24684293
Unchecked Ki = 3700.0 nM 5.43 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain N7R/P11R ... 24684293
Unchecked Ki = 6140.0 nM 5.21 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain L20R muta... 24684293
Unchecked Ki = 83400.0 nM 4.08 Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain N7R/L20R ... 24684293

Literature References

PubMed DOI Target Context # Activities
24684293 10.1021/jm500165n Unchecked 16
24684293 10.1021/jm500165n Protein kinase C delta type 1

Data from ChEMBL 36 via Core Engine