Compound Detail
CHEMBL5280284
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Basic Information
| ChEMBL ID | CHEMBL5280284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHEXTCXTBBPBOL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.16
ALogP
6
HBA
2
HBD
99.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of CLK1 (unknown origin) | 33528252 |
| Glycogen synthase kinase-3 beta | IC50 | = | 420.0 | nM | 6.38 | Inhibition of GSK-3beta (unknown origin) | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity protein kinase CLK1 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine