Compound Detail
CHEMBL4068028
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CN1CCN(Cc2ccc3ccc(Cl)c(C4=C(c5cn(C)c6ccccc56)C(=O)NC4=O)c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4068028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNAXHIOTDMDOLF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
4.30
ALogP
5
HBA
1
HBD
57.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.54 | 6.54 | 292.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.5 | 6.5 | 316.0 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 6.5 | 6.5 | 314.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 15.0 | nM | 7.82 | Inhibition of PKCbeta1 (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C alpha type | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PKCalpha (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C epsilon type | IC50 | = | 251.0 | nM | 6.6 | Inhibition of PKCepsilon (unknown origin) after 60 mins in presence of [gamma33P... | 28131714 |
| Protein kinase C delta type | IC50 | = | 292.0 | nM | 6.54 | Inhibition of PKCdelta (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C eta type | IC50 | = | 316.0 | nM | 6.5 | Inhibition of PKCeta (unknown origin) after 60 mins in presence of [gamma33P]ATP... | 28131714 |
| Protein kinase C theta type | IC50 | = | 314.0 | nM | 6.5 | Inhibition of PKCtheta (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C alpha type | 1 |
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C beta type | 1 |
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C delta type | 1 |
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C epsilon type | 1 |
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C eta type | 1 |
| 28131714 | 10.1016/j.bmcl.2017.01.038 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine