Compound Detail
CHEMBL302304
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O=C(N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)OCC2CCCCC2)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL302304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYJIUYPHHDCWNM-YIXXDRMTSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
618.6
MW (Da)
3.40
ALogP
11
HBA
6
HBD
191.7
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C eta type CHEMBL3616 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C eta type | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Protein kinase C eta expressed in Sf-9 cells | - |
| Protein kinase C delta type | IC50 | = | 310.0 | nM | 6.51 | Inhibition of Protein kinase C delta expressed in Sf-9 cells | - |
| Protein kinase C alpha type | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of Protein kinase C alpha expressed in Sf-9 cells | - |
| Protein kinase C beta type | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of Protein kinase C beta 2 expressed in Sf-9 cells | - |
| Protein kinase C epsilon type | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of protein kinase C epsilon expressed in Sf-9 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00361-V | Protein kinase C alpha type | 1 |
| - | 10.1016/0960-894X(95)00361-V | Protein kinase C beta type | 1 |
| - | 10.1016/0960-894X(95)00361-V | Protein kinase C delta type | 1 |
| - | 10.1016/0960-894X(95)00361-V | Protein kinase C epsilon type | 1 |
| - | 10.1016/0960-894X(95)00361-V | Protein kinase C eta type | 1 |
| - | 10.1016/0960-894X(95)00361-V | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine