Compound Detail
CHEMBL2386746
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Basic Information
| ChEMBL ID | CHEMBL2386746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQVADOVUSXDTNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.8
MW (Da)
4.75
ALogP
7
HBA
2
HBD
83.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 0.99 | nM | 9.0 | Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of ... | 24900699 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 1.63 | nM | 8.79 | Inhibition of recombinant DYRK1B (unknown origin) after 120 mins in presence of ... | 24900699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900699 | 10.1021/ml400137s | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 24900699 | 10.1021/ml400137s | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine