Compound Detail
CHEMBL3963605
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Basic Information
| ChEMBL ID | CHEMBL3963605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLMXWBSEQIDLJG-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
2.30
ALogP
7
HBA
3
HBD
123.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.7 | 9.11 | 0.2 | 2 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.13 | nM | 9.89 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| 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 theta type | IC50 | = | 0.84 | nM | 9.08 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 3.0 | nM | 8.52 | Inhibition of GSK-3-beta (unknown origin) | 34954592 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 10.0 | nM | 8.0 | In Vitro Caliper Kinase Assay: For comparison between certain PKC inhibitors of ... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 39.0 | nM | 7.41 | Inhibition of DYRK1A (unknown origin) | 34954592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34954592 | 10.1016/j.ejmech.2021.114062 | Glycogen synthase kinase-3 beta | 1 |
| 34954592 | 10.1016/j.ejmech.2021.114062 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine