Compound Detail
CHEMBL5270999
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Cc1cnc(Nc2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1-c1ccc2scnc2c1
Basic Information
| ChEMBL ID | CHEMBL5270999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRLZMTSNWJVIEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
4.89
ALogP
9
HBA
1
HBD
113.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 6.57 | 6.57 | 268.0 | 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 | = | 268.0 | nM | 6.57 | 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