Compound Detail
CHEMBL4646866
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Basic Information
| ChEMBL ID | CHEMBL4646866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKXYWSOZFJIUNP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.24
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Kd 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Kd | 8.05 | 8.05 | 8.9 | 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 | = | 7.0 | nM | 8.15 | Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residue... | 32832032 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Kd | = | 8.9 | nM | 8.05 | Binding affinity to DYRK1A (unknown origin) assessed as dissociation constant me... | 32832032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832032 | 10.1021/acsmedchemlett.0c00279 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
Data from ChEMBL 36 via Core Engine