Compound Detail
CHEMBL4758072
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Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL4758072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLYWBCOOCIHGMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
487.9
MW (Da)
5.40
ALogP
9
HBA
1
HBD
120.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.52 | 5.52 | 3000.0 | 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 | = | 3000.0 | nM | 5.52 | Inhibition of rat DYRK1A (1 to 499 residues) assessed as residual activity by AD... | 33422908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422908 | 10.1016/j.bmc.2020.115962 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | CDK9/cyclin T1 | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Serine/threonine-protein kinase pim-1 | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Dual specificity protein kinase CLK1 | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Serine/threonine-protein kinase haspin | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Glycogen synthase kinase-3 beta | 1 |
| 33422908 | 10.1016/j.bmc.2020.115962 | Casein kinase I isoform epsilon | 1 |
Data from ChEMBL 36 via Core Engine