Compound Detail
CHEMBL4539999
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Basic Information
| ChEMBL ID | CHEMBL4539999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIEXRNRVTDHPCG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596499 |
| Active Moiety | CHEMBL4596499 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.37
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.02 | 6.02 | 950.0 | 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 | = | 950.0 | nM | 6.02 | Inhibition of DYRK1A (unknown origin) by FRET-based Lantha-screen Eu kinase bind... | 32003560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32003560 | 10.1021/acs.jmedchem.9b01379 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine