Compound Detail
CHEMBL29187
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Basic Information
| ChEMBL ID | CHEMBL29187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBMKGCGCHYGZOH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
3.78
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.675 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of [3H]BTX binding to cardiac voltage-gated sodium channel | 11170622 |
| Unchecked | IC50 | = | 4100.0 | nM | 5.39 | 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