Compound Detail
CHEMBL103628
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CN1CCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL103628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQVPZOKGUAQGTM-UHFFFAOYSA-N |
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
2.97
ALogP
7
HBA
1
HBD
65.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.57
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.57 | 7.39 | 27.0 | 3 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
| Protein kinase C gamma type CHEMBL2938 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Protein kinase C beta 2 | 12941331 |
| Protein kinase C beta type | IC50 | = | 31.0 | nM | 7.51 | Inhibition of Protein kinase C beta 1 | 12941331 |
| Glycogen synthase kinase-3 beta | IC50 | = | 43.0 | nM | 7.37 | Inhibition of Glycogen synthase kinase-3 beta | 12941331 |
| Protein kinase C beta type | IC50 | = | 82.0 | nM | 7.09 | Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA | 12941331 |
| Protein kinase C epsilon type | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Protein kinase C epsilon | 12941331 |
| Protein kinase C alpha type | IC50 | = | 290.0 | nM | 6.54 | Inhibition of Protein kinase C alpha | 12941331 |
| Unchecked | EC50 | = | 390.0 | nM | 6.41 | Glycogen synthase activity of HEK293 cells, inhibition of GSK3-beta | 12941331 |
| Protein kinase C delta type | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of Protein kinase C delta | 12941331 |
| Protein kinase C gamma type | IC50 | = | 1570.0 | nM | 5.8 | Inhibition of Protein kinase C gamma | 12941331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C beta type | 3 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C alpha type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C gamma type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C delta type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C epsilon type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C zeta type | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Glycogen synthase kinase-3 beta | 1 |
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine