Compound Detail
CHEMBL430716
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Cc1ccc(-c2nc(C)c(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL430716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTAPECZVVFKYMR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
5.88
ALogP
3
HBA
1
HBD
35.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.72 | 119.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 119.0 | nM | 6.92 | Inhibition of [3H]BTX binding to cardiac voltage-gated sodium channel | 11170622 |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of veratridine-induced guanidine flux in cardiac voltage-gated sodium... | 11170622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170622 | 10.1021/jm000155h | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine