Compound Detail
CHEMBL3774696
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Basic Information
| ChEMBL ID | CHEMBL3774696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGAPXMAFESZJGN-JXMROGBWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
1.79
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 5.37 | 5.37 | 4290.0 | 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 | = | 880.0 | nM | 6.06 | Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain e... | 26896709 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 2040.0 | nM | 5.69 | Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escheri... | 26896709 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 4290.0 | nM | 5.37 | Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insec... | 26896709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Epidermal growth factor receptor | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity protein kinase CLK1 | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Casein kinase II | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 26896709 | 10.1016/j.ejmech.2016.02.017 | Protein kinase C beta type | 1 |
Data from ChEMBL 36 via Core Engine