Compound Detail
CHEMBL3939539
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Basic Information
| ChEMBL ID | CHEMBL3939539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQBFNVOMTKSWEN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
3.99
ALogP
6
HBA
3
HBD
122.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 19.0 | nM | 7.72 | Electrophysiology Assay: Patch clamp electrophysiology was used to assess the ef... | - |
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Electrophysiology Assays: Patch clamp electrophysiology was used to assess the e... | - |
Data from ChEMBL 36 via Core Engine