Compound Detail
CHEMBL3948882
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COc1ccccc1N1CC(NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1=O
Basic Information
| ChEMBL ID | CHEMBL3948882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRVCTSMLJMPCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
4.98
ALogP
6
HBA
1
HBD
93.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 6.37 | 6.37 | 429.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 429.0 | nM | 6.37 | FRET-Based Membrane Potential Assay: Two days prior to the experiment, frozen HE... | - |
Data from ChEMBL 36 via Core Engine