Compound Detail
CHEMBL225495
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CCCCCCCC1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
Basic Information
| ChEMBL ID | CHEMBL225495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJQTYGPVOARZQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
6.16
ALogP
4
HBA
1
HBD
55.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Displacement of [3H]BTX-B from voltage gated sodium channel in rat cerebral cort... | 15588087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588087 | 10.1021/jm040077o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine