Compound Detail
CHEMBL59687
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O=C(N[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL59687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRBLWZIADYBYNA-RTBURBONSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
549.5
MW (Da)
1.72
ALogP
9
HBA
8
HBD
205.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 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 | 6.66 | 6.66 | 220.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.2 | 6.06 | 630.0 | 2 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.5 | 5.5 | 3200.0 | 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 | - |
| Protein kinase C delta type | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Protein kinase C delta | - |
| Protein kinase C gamma type | IC50 | = | 420.0 | nM | 6.38 | Inhibition of Protein kinase C gamma | - |
| Protein kinase C beta type | IC50 | = | 630.0 | nM | 6.2 | Inhibition of Protein kinase C beta 1 | - |
| Protein kinase C epsilon type | IC50 | = | 670.0 | nM | 6.17 | Inhibition of Protein kinase C epsilon | - |
| Protein kinase C beta type | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Protein kinase C beta 2 | - |
| Protein kinase C alpha type | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Protein kinase C alpha | - |
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