Compound Detail
CHEMBL431485
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Basic Information
| ChEMBL ID | CHEMBL431485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOJQHUZPSPYORM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
2.18
ALogP
8
HBA
2
HBD
96.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1410.0 | nM | 5.85 | Effective concentration against Xenopus oocytes expressing guinea pig heart Na c... | 7629798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629798 | 10.1021/jm00014a011 | Oryctolagus cuniculus | 2 |
| - | 10.1016/S0960-894X(00)80322-4 | Rattus norvegicus | 2 |
| 7629798 | 10.1021/jm00014a011 | Sodium channel protein type 5 subunit alpha | 1 |
| 7629798 | 10.1021/jm00014a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine