Compound Detail
CHEMBL5561941
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Basic Information
| ChEMBL ID | CHEMBL5561941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEZMWMSMHXKTFY-FQEVSTJZSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
4.84
ALogP
5
HBA
2
HBD
76.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
EC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.66 | 7.66 | 21.7 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of CLK2 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Dual specificity protein kinase CLK4 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of CLK4 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Dual specificity protein kinase CLK1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of CLK1 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 21.7 | nM | 7.66 | Inhibition of DYRK1A (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Unchecked | EC50 | = | 2900.0 | nM | 5.54 | Inhibition of Wnt pathway in human HEK293 cells incubated for 24 hrs by TOPflash... | 38500250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Rattus norvegicus | 22 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Unchecked | 17 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK2 | 2 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK1 | 2 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK4 | 2 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK3 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Serine/arginine-rich splicing factor 6 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Homeodomain-interacting protein kinase 2 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Serine/threonine-protein kinase pim-3 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | TRAF2 and NCK-interacting protein kinase | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine