Compound Detail
CHEMBL4544854
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Basic Information
| ChEMBL ID | CHEMBL4544854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKJNGEJAQQWVOA-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.48
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of thrombin-recognition site-fused GST-tagged human AAK1 expressed in... | 31136173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31136173 | 10.1021/acs.jmedchem.9b00136 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine