Compound Detail
CHEMBL5887510
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CC(C)(c1cc(NC(=O)Nc2ccc(-c3cn(C4CC4)c4ncnc(N)c34)cc2F)on1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5887510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPFXJTRYJMPUEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
5.63
ALogP
7
HBA
3
HBD
123.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 CHEMBL4849 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 | IC50 | = | 225.0 | nM | 6.65 | Enzymatic Assay: Casein substrate (from bovine milk, hydrolyzed and partially de... | - |
Data from ChEMBL 36 via Core Engine