Compound Detail
CHEMBL3915647
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Basic Information
| ChEMBL ID | CHEMBL3915647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDWOWHGVIKYPLI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.3
MW (Da)
4.45
ALogP
9
HBA
2
HBD
102.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.56 | 8.56 | 2.8 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 8.44 | 8.44 | 3.7 | 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 | = | 2.76 | nM | 8.56 | HotSpot Technology Assay: The DYRK1A and DYRK1B kinase assays to determine IC50 ... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 3.66 | nM | 8.44 | HotSpot Technology Assay: The DYRK1A and DYRK1B kinase assays to determine IC50 ... | - |
Data from ChEMBL 36 via Core Engine