Compound Detail
CHEMBL3957649
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Basic Information
| ChEMBL ID | CHEMBL3957649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEUSLGXUKGZQEI-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
1.92
ALogP
7
HBA
3
HBD
109.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 0.2 | nM | 9.7 | GSKbeta Assay: Types of GSK-3 assay used to test the selectivity/off target pote... | - |
| Protein kinase C alpha type | IC50 | = | 0.8 | nM | 9.1 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 6.0 | nM | 8.22 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 78.0 | nM | 7.11 | In Vitro Caliper Kinase Assay: For comparison between certain PKC inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine