Compound Detail
CHEMBL299987
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CC(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O
Basic Information
| ChEMBL ID | CHEMBL299987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOQPSCIFUCJARS-WZONZLPQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
3.21
ALogP
9
HBA
6
HBD
182.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C delta type | IC50 | = | 420.0 | nM | 6.38 | Inhibition of Human Protein kinase C delta | - |
| Protein kinase C beta type | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of Human Protein kinase C beta 2 | - |
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of Human Protein Kinase A (PKA) | - |
| Protein kinase C epsilon type | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of Human Protein kinase C epsilon | - |
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