Compound Detail
CHEMBL319265
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Basic Information
| ChEMBL ID | CHEMBL319265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNPLEVGVGWVFGT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
3.04
ALogP
6
HBA
1
HBD
62.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Protein kinase C beta type CHEMBL3045 | IC50 | 6.7 | 6.65 | 200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Glycogen synthase kinase-3 beta | 12941331 |
| Protein kinase C beta type | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Protein kinase C beta 2 | 12941331 |
| Protein kinase C beta type | IC50 | = | 250.0 | nM | 6.6 | Inhibition of Protein kinase C beta 1 | 12941331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941331 | 10.1016/s0960-894x(03)00644-9 | Protein kinase C beta type | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine