Compound Detail
CHEMBL293500
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O=C(NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL293500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNMRZXAWYGJIEE-HNAYVOBHSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
2.77
ALogP
8
HBA
7
HBD
193.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.31 | 5.04 | 4900.0 | 2 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Protein kinase C delta | - |
| Protein kinase C eta type | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of Protein kinase C eta | - |
| Protein kinase C beta type | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Protein kinase C beta 2 | - |
| Protein kinase C beta type | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of Protein kinase C beta 1 | - |
| Protein kinase C alpha type | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of Protein kinase C alpha | - |
| Protein kinase C gamma type | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of Protein kinase C gamma | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C beta type | 2 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C alpha type | 1 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C gamma type | 1 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C delta type | 1 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C epsilon type | 1 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C eta type | 1 |
| - | 10.1016/0960-894X(95)00344-S | Protein kinase C zeta type | 1 |
Data from ChEMBL 36 via Core Engine