Compound Detail
CHEMBL5288087
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Basic Information
| ChEMBL ID | CHEMBL5288087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZLNCRZBVRRFAT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
4.41
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.75
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human CLK2 | 34519506 |
| Unchecked | EC50 | = | 18.0 | nM | 7.75 | Antifibrotic activity in TGF-beta1 induced primary human lung fibroblast | 34519506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK2 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine