Compound Detail
CHEMBL4648945
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Basic Information
| ChEMBL ID | CHEMBL4648945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMRXFXMRTUPKEB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.51
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 109.0 | nM | 6.96 | Inhibition of recombinant human N-terminal GST-tagged DYRK1A (1 to 763 residues)... | 32077280 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 15500.0 | nM | 4.81 | Displacement of [3H]dofetilide from human ERG expressed in CHO cells incubated f... | 32077280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32077280 | 10.1021/acs.jmedchem.9b01624 | ADMET | 3 |
| 32077280 | 10.1021/acs.jmedchem.9b01624 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 32077280 | 10.1021/acs.jmedchem.9b01624 | Glycogen synthase kinase-3 beta | 1 |
| 32077280 | 10.1021/acs.jmedchem.9b01624 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine