Compound Detail
CHEMBL3262940
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CC(C)CC(CC(=O)OCC1(CO)C/C(=C\c2ccccc2C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O1)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL3262940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAILPIJWWJBPOB-NLRVBDNBSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
616.8
MW (Da)
6.16
ALogP
9
HBA
1
HBD
125.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.05
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.05 | 8.6 | 0.9 | 4 |
| Protein kinase C delta type CHEMBL2560 | Kd | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain N7R mutan... | 24684293 |
| Protein kinase C delta type | Kd | = | 1.0 | nM | 9.0 | Displacement of [20-3H]PDBu from GST-tagged full-length mouse PKC-delta C1B doma... | 24684293 |
| Unchecked | Ki | = | 1.5 | nM | 8.82 | Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain S10R muta... | 24684293 |
| Unchecked | Ki | = | 1.7 | nM | 8.77 | Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain P11R muta... | 24684293 |
| Unchecked | Ki | = | 17.3 | nM | 7.76 | Displacement of [20-3H]PDBu from GST-tagged mouse PKC-delta C1B domain L20R muta... | 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