Compound Detail
CHEMBL4101316
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Basic Information
| ChEMBL ID | CHEMBL4101316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPIHDMXDUPXXEU-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
474.0
MW (Da)
4.29
ALogP
5
HBA
2
HBD
72.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 2.8 | nM | 8.55 | Inhibition of PKCalpha (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C beta type | IC50 | = | 3.1 | nM | 8.51 | Inhibition of PKCbeta1 (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C theta type | IC50 | = | 21.0 | nM | 7.68 | Inhibition of PKCtheta (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C delta type | IC50 | = | 39.0 | nM | 7.41 | Inhibition of PKCdelta (unknown origin) after 60 mins in presence of [gamma33P]A... | 28131714 |
| Protein kinase C epsilon type | IC50 | = | 110.0 | nM | 6.96 | Inhibition of PKCepsilon (unknown origin) after 60 mins in presence of [gamma33P... | 28131714 |
| Protein kinase C eta type | IC50 | = | 206.0 | nM | 6.69 | Inhibition of PKCeta (unknown origin) after 60 mins in presence of [gamma33P]ATP... | 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