Compound Detail
CHEMBL5557141
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Basic Information
| ChEMBL ID | CHEMBL5557141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOBLUVLYXDEFEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
2.32
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 50.1 | nM | 7.3 | Inhibition of GST-tagged recombinant human AAK1 (1 to 510 residues) expressed in... | 38377825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38377825 | 10.1016/j.ejmech.2024.116232 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine