Compound Detail
CHEMBL5081135
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Basic Information
| ChEMBL ID | CHEMBL5081135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUMDMPJAQOGMFA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.1
MW (Da)
1.18
ALogP
5
HBA
1
HBD
80.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Ki 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.19 | 5.19 | 6400.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 6400.0 | nM | 5.19 | Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by A... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hun... | 34143631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Serine/threonine-protein kinase PAK 4 | 2 |
Data from ChEMBL 36 via Core Engine