Compound Detail
CHEMBL91959
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CN1CCN(C[C@@H]2CCn3cc(c4ccccc43)C3=C(C(=O)NC3=O)c3cn(c4ccccc34)CCO2)CC1
Basic Information
| ChEMBL ID | CHEMBL91959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKXPAKQCFJVAFI-NRFANRHFSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
3.20
ALogP
7
HBA
1
HBD
71.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.62
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.62 | 7.57 | 24.0 | 2 |
| Molecular identity unknown CHEMBL612546 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | 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 beta type | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Protein kinase C beta 2 | 8709095 |
| Protein kinase C beta type | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Protein kinase C beta 1 | 8709095 |
| Molecular identity unknown | EC50 | = | 550.0 | nM | 6.26 | Effective concentration for 50% inhibition of Endothelial cell- based plasminoge... | 8709095 |
| Protein kinase C alpha type | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Protein kinase C alpha | 8709095 |
| Protein kinase C eta type | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Protein kinase C eta | 8709095 |
| Protein kinase C delta type | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Protein kinase C delta | 8709095 |
| Protein kinase C gamma type | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Protein kinase C gamma | 8709095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709095 | 10.1021/jm950588y | Protein kinase C beta type | 2 |
| 8709095 | 10.1021/jm950588y | Protein kinase C alpha type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C gamma type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C delta type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C epsilon type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C zeta type | 1 |
| 8709095 | 10.1021/jm950588y | Protein kinase C eta type | 1 |
| 8709095 | 10.1021/jm950588y | Molecular identity unknown | 1 |
| 8709095 | 10.1021/jm950588y | ADMET | 1 |
| 8709095 | 10.1021/jm950588y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine