Compound Detail
CHEMBL133853
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@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCCCCCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C
Basic Information
| ChEMBL ID | CHEMBL133853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODGLCPNFDKDAJO-XFEDHCIASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
749.0
MW (Da)
5.15
ALogP
8
HBA
6
HBD
163.3
PSA (Ų)
0.12
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2560 | Ki | 9.32 | 9.1 | 0.5 | 2 |
| Protein kinase C alpha type CHEMBL2213 | Ki | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | Ki | = | 0.48 | nM | 9.32 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
| Protein kinase C delta type | Ki | = | 1.31 | nM | 8.88 | Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from rec... | 12954072 |
| Protein kinase C alpha type | Ki | = | 5.63 | nM | 8.25 | 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 delta type | 2 |
| 12954072 | 10.1021/jm0302041 | Protein kinase C alpha type | 1 |
| 12954072 | 10.1021/jm0302041 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine