Compound Detail
CHEMBL4100747
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CC(=O)N(C)Cc1ccc2ccc(Cl)c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL4100747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DETMXRBVADAKAO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
4.53
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.55 | 6.55 | 284.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | IC50 | = | 41.0 | nM | 7.39 | Inhibition of PKCbeta1 (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C alpha type | IC50 | = | 63.0 | nM | 7.2 | Inhibition of PKCalpha (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C delta type | IC50 | = | 284.0 | nM | 6.55 | Inhibition of PKCdelta (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