Compound Detail
CHEMBL5077192
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Basic Information
| ChEMBL ID | CHEMBL5077192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXRWQJAEZHTNFX-SFHVURJKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
4.25
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Ki 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.52 | 7.31 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.5 | nM | 8.35 | Displacement of 3H-LP-927443 from AAK1 in mouse brain membrane homogenate assess... | 35257579 |
| AP2-associated protein kinase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacter... | 35257579 |
| AP2-associated protein kinase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formati... | 35257579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35257579 | 10.1021/acs.jmedchem.1c02131 | Unchecked | 3 |
| 35257579 | 10.1021/acs.jmedchem.1c02131 | AP2-associated protein kinase 1 | 2 |
| 35257579 | 10.1021/acs.jmedchem.1c02131 | Cytochrome P450 | 1 |
Data from ChEMBL 36 via Core Engine