Compound Detail
CHEMBL4171089
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Basic Information
| ChEMBL ID | CHEMBL4171089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAJIIOCNEPZQTR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.46
ALogP
8
HBA
2
HBD
83.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Ki 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.42 | 6.42 | 383.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.1 | 6.1 | 800.0 | 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 | = | 383.0 | nM | 6.42 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 800.0 | nM | 6.1 | Inhibition of DYRK1A (unknown origin) using DYRKtide as substrate by ATP regener... | 30095246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30095246 | 10.1021/acs.jmedchem.7b01847 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 5 |
Data from ChEMBL 36 via Core Engine