Compound Detail
CHEMBL3634329
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Basic Information
| ChEMBL ID | CHEMBL3634329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYNOMDCROVJNRQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
3.78
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL3414411 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL4523103 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 18.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 34.0 | nM | Mus musculus |
| Fu | - | - | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay | 26358159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Mus musculus | 5 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 9 subunit alpha | 2 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 1 subunit alpha | 2 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 5 subunit alpha | 1 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Unchecked | 1 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine