Compound Detail
CHEMBL55890
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O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL55890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILEACBRDEQKZPX-IIBYNOLFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
588.5
MW (Da)
3.75
ALogP
9
HBA
6
HBD
182.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | 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 | = | 4400.0 | nM | 5.36 | Inhibition of Human Protein kinase C delta | - |
| Protein kinase C beta type | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of Human Protein kinase C beta 2 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00303-B | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00303-B | Protein kinase C alpha type | 1 |
| - | 10.1016/0960-894X(95)00303-B | Protein kinase C beta type | 1 |
| - | 10.1016/0960-894X(95)00303-B | Protein kinase C delta type | 1 |
| - | 10.1016/0960-894X(95)00303-B | Protein kinase C epsilon type | 1 |
| - | 10.1016/0960-894X(95)00303-B | Unchecked | 1 |
| - | 10.1016/0960-894X(95)00303-B | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine