Compound Detail
CHEMBL5904011
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CC(C)(O)Cn1cc(-c2ccc(NC(=O)Nc3cc(C4(C(F)(F)F)CC4)no3)c(F)c2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL5904011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQASXIAUDFTTAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
4.82
ALogP
8
HBA
4
HBD
144.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
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