Compound Detail
CHEMBL466926
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Basic Information
| ChEMBL ID | CHEMBL466926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHKUSJSIQBRTTA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.32
ALogP
8
HBA
1
HBD
101.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.1 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | Displacement of [3H]sipatrigine from Wistar rat brain synaptosomes voltage-gated... | 24601592 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ... | 19341281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19341281 | 10.1021/jm801180p | Unchecked | 1 |
| 19341281 | 10.1021/jm801180p | Hippocampus | 1 |
| 24601592 | 10.1021/jm401881q | Unchecked | 1 |
| 24601592 | 10.1021/jm401881q | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine