Compound Detail
CHEMBL4474836
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Basic Information
| ChEMBL ID | CHEMBL4474836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRZRJTZGNFPMNY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.77
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 25.0 | nM | 7.6 | Inhibition of DYRK1A (unknown origin) by FRET-based Lantha-screen Eu kinase bind... | 32003560 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 25.0 | nM | 7.6 | Inhibition of DYRK1A (unknown origin) | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Unchecked | 15 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | ADMET | 6 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Mus musculus | 5 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Casein kinase I isoform epsilon | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Casein kinase I isoform delta | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Casein kinase I isoform alpha | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Dual specificity protein kinase CLK4 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Dual specificity protein kinase CLK2 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Dual specificity protein kinase CLK1 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Cyclin-dependent kinase 7 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Sodium-dependent noradrenaline transporter | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | 5-hydroxytryptamine receptor 7 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | 5-hydroxytryptamine receptor 6 | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | 5-hydroxytryptamine receptor 2C | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | 5-hydroxytryptamine receptor 2A | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Alpha-2C adrenergic receptor | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Alpha-2B adrenergic receptor | 1 |
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine