Compound Detail
CHEMBL3102953
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Basic Information
| ChEMBL ID | CHEMBL3102953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCIOFUJXGPQSRS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
3.72
ALogP
5
HBA
5
HBD
109.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.84
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 7.84 | 7.84 | 14.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 7.6 | nM | 8.12 | Competitive inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (... | 24188002 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 14.3 | nM | 7.84 | Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) ex... | 24188002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24188002 | 10.1021/jm401049v | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 24188002 | 10.1021/jm401049v | KB | 2 |
Data from ChEMBL 36 via Core Engine