Compound Detail
CHEMBL5742449
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CC(C)C[C@@](C)(COc1ncc(-c2ccnc3cc(F)cc(F)c23)cc1Cl)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5742449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGTSJSXAKIWAET-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.0
MW (Da)
6.94
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 0.49 | nM | 9.31 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine