Compound Detail
CHEMBL5200458
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Basic Information
| ChEMBL ID | CHEMBL5200458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJTXVHJHSDVQNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.30
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) using (5... | 35171586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35171586 | 10.1021/acs.jmedchem.1c01966 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine