Compound Detail
CHEMBL5088208
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CN1Cc2nn(C)c(C#N)c2-c2cc3c(c[nH]c3nn2)-c2cn(nc2C(F)(F)F)CCCC1=O
Basic Information
| ChEMBL ID | CHEMBL5088208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJAPBRMDBKVVEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
2.86
ALogP
8
HBA
1
HBD
121.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 5.52 | 5.52 | 3050.0 | 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 | = | 3050.0 | nM | 5.52 | Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by... | 35450378 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by... | 35450378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35450378 | 10.1021/acsmedchemlett.1c00630 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 35450378 | 10.1021/acsmedchemlett.1c00630 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine