Compound Detail
CHEMBL3683094
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O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccc(F)cc2)cc(C(F)(F)F)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL3683094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYLLDXJQSXDYLQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.3
MW (Da)
5.60
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 11.0 | nM | 7.96 | Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... | - |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | E-VIPR Optical Membrane Potential Assay: Sodium channels are voltage-dependent p... | - |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 11.0 | nM | 7.96 | Electrophysiology Assay: 1) Pre-spotted compounds (in neat DMSO) into compound p... | - |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 11.0 | nM | 7.96 | Assays for Detecting and Measuring of NaV Inhibition: 1) Pre-spotted compounds (... | - |
Data from ChEMBL 36 via Core Engine