Compound Detail
CHEMBL4796016
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Basic Information
| ChEMBL ID | CHEMBL4796016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZCWNSGWBUAUOO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
282.7
MW (Da)
3.73
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK3 CHEMBL4226 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK3 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human CLK3 | 34519506 |
| Dual specificity protein kinase CLK1 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of human CLK1 | 34519506 |
| Dual specificity protein kinase CLK2 | IC50 | = | 510.0 | nM | 6.29 | Inhibition of human CLK2 | 34519506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5058564 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| 32787076 | 10.1021/acs.jmedchem.0c00898 | Unchecked | 2 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK3 | 1 |
| - | 10.6019/CHEMBL5060014 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5060014 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5060014 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5060014 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 1 |
| 32787076 | 10.1021/acs.jmedchem.0c00898 | Dual specificity protein kinase CLK4 | 1 |
| - | 10.6019/CHEMBL5060014 | Tyrosine-protein kinase ABL1 | 1 |
| 32787076 | 10.1021/acs.jmedchem.0c00898 | Dual specificity protein kinase CLK3 | 1 |
Data from ChEMBL 36 via Core Engine