Compound Detail
CHEMBL544330
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Basic Information
| ChEMBL ID | CHEMBL544330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXDYGHLJGBTMEI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192997 |
| Active Moiety | CHEMBL1192997 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.69
ALogP
5
HBA
2
HBD
68.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 2900.0 | nM | 5.54 | In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) ... | 9685245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685245 | 10.1021/jm980124a | Sodium channel protein type 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine