Compound Detail
CHEMBL5074638
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Basic Information
| ChEMBL ID | CHEMBL5074638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNDCZOZTMJFJKQ-IBGZPJMESA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.53
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 8.6 | 8.32 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.2 | nM | 8.92 | Displacement of 3H-LP-927443 from AAK1 in mouse brain membrane homogenate assess... | 35257579 |
| AP2-associated protein kinase 1 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacter... | 35257579 |
| AP2-associated protein kinase 1 | IC50 | = | 9.2 | nM | 8.04 | 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 |
| 35257579 | 10.1021/acs.jmedchem.1c02131 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine