Compound Detail
CHEMBL5755158
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CC(C)C[C@@](C)(COc1ccc(-c2ccnc(N)c2)cc1C(F)(F)F)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5755158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISFHPNHSGNEPIB-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
6.06
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 0.3 | nM | 9.52 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine