Compound Detail
CHEMBL1224265
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Basic Information
| ChEMBL ID | CHEMBL1224265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATSGXTVRKKTJHN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.8
MW (Da)
3.80
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | Ki | 9.96 | 9.96 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 125.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | Ki | = | 0.111 | nM | 9.96 | Inhibition of human Nav 1.7 channel by electrophysiology | 20709545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20709545 | 10.1016/j.bmcl.2010.07.080 | Sodium channel protein type 9 subunit alpha | 1 |
| 20709545 | 10.1016/j.bmcl.2010.07.080 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine