Compound Detail
CHEMBL5954683
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CN1CCC(n2cc(-c3ccc(NC(=O)Nc4cc(C5(C(F)(F)F)CC5)no4)c(F)c3)c3c(N)ncnc32)C1
Basic Information
| ChEMBL ID | CHEMBL5954683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUXGMAAGFXHYGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
4.92
ALogP
8
HBA
3
HBD
127.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 CHEMBL4849 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Nek7 | IC50 | = | 400.0 | nM | 6.4 | Enzymatic Assay: Casein substrate (from bovine milk, hydrolyzed and partially de... | - |
Data from ChEMBL 36 via Core Engine