Compound Detail
CHEMBL5288413
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NCCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cc3cnc(CC(N)=O)nc3[nH]c2=O)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5288413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCBURQCCRHSROQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.0
MW (Da)
2.07
ALogP
7
HBA
5
HBD
185.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.3 | 7.3 | 50.0 | 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 | = | 50.0 | nM | 7.3 | Inhibition of DYRK1A (unknown origin) | 30243157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30243157 | 10.1016/j.ejmech.2018.08.093 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine