Compound Detail
CHEMBL4164814
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Basic Information
| ChEMBL ID | CHEMBL4164814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUBNPZDHUYZSLK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.94
ALogP
4
HBA
2
HBD
101.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Ki 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.98 | 6.98 | 104.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 104.0 | nM | 6.98 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 216.0 | nM | 6.67 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30095246 | 10.1021/acs.jmedchem.7b01847 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 6 |
Data from ChEMBL 36 via Core Engine