Compound Detail
CHEMBL5287080
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Basic Information
| ChEMBL ID | CHEMBL5287080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEDLXWRFEZCVEU-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.69
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.91 | 7.91 | 12.3 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.43 | 7.43 | 37.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 12.3 | nM | 7.91 | Inhibition of CLK2 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 37.2 | nM | 7.43 | Inhibition of DYRK1A (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Unchecked | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK2 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK3 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine