Compound Detail
CHEMBL3954779
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Basic Information
| ChEMBL ID | CHEMBL3954779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUIPZIRQUAZXFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.94
ALogP
7
HBA
2
HBD
83.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.39 | 7.39 | 40.8 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 7.33 | 7.33 | 46.3 | 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 | = | 40.76 | nM | 7.39 | HotSpot Technology Assay: The DYRK1A and DYRK1B kinase assays to determine IC50 ... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 46.29 | nM | 7.33 | HotSpot Technology Assay: The DYRK1A and DYRK1B kinase assays to determine IC50 ... | - |
Data from ChEMBL 36 via Core Engine