Compound Detail
CHEMBL444877
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O=C(N[C@@H]1c2ccccc2C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL444877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNVINYYJNCKGRA-SHQCIBLASA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
3.69
ALogP
9
HBA
6
HBD
190.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C gamma type CHEMBL2938 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C gamma type | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of protein kinase C gamma | - |
| Protein kinase C delta type | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of protein kinase C delta | - |
| Protein kinase C eta type | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of protein kinase C eta | - |
| Protein kinase C beta type | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of protein kinase C beta II | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C beta type | 2 |
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C alpha type | 1 |
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C gamma type | 1 |
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C delta type | 1 |
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C epsilon type | 1 |
| - | 10.1016/0960-894X(96)00151-5 | Protein kinase C eta type | 1 |
Data from ChEMBL 36 via Core Engine