Compound Detail
CHEMBL5272665
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CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(Nc3ncc(F)c(-c4ccc5scnc5c4)n3)nc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5272665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOLYKWMUWHYJCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.12
ALogP
10
HBA
1
HBD
126.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 6.27 | 6.27 | 535.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 535.0 | nM | 6.27 | Inhibition of hexa His-tagged DYRK2 (72 to 479 residues) (unknown origin) expres... | 36800260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36800260 | 10.1021/acs.jmedchem.3c00106 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine