Compound Detail
CHEMBL3634334
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Basic Information
| ChEMBL ID | CHEMBL3634334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWJPTIQVZZTQLJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
2.56
ALogP
5
HBA
1
HBD
62.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL3414411 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL4523103 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 692.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1177.84 | 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 | = | 4800.0 | nM | 5.32 | Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 77000.0 | nM | 4.11 | 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 | Unchecked | 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 | Plasma | 1 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine