Compound Detail
CHEMBL134413
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CC(C)[C@H]1C(=O)N[C@H](CO)C1c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@H]3[C@@H](C(C)C)C(=O)N[C@@H]3CO)c3ccccc23)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL134413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZLIKMVDZRJBSV-HUJYFTBVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
793.0
MW (Da)
8.10
ALogP
8
HBA
4
HBD
151.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2560 | Ki | 7.35 | 7.35 | 44.8 | 1 |
| Protein kinase C alpha type CHEMBL2213 | Ki | 6.77 | 6.77 | 169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 44.8 | nM | 7.35 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
| Protein kinase C alpha type | Ki | = | 169.0 | nM | 6.77 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954072 | 10.1021/jm0302041 | Protein kinase C alpha type | 1 |
| 12954072 | 10.1021/jm0302041 | Protein kinase C delta type | 1 |
| 12954072 | 10.1021/jm0302041 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine