Compound Detail
CHEMBL4064160
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Basic Information
| ChEMBL ID | CHEMBL4064160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQIBJGYYXKVIHB-IIDMSEBBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
3.22
ALogP
3
HBA
4
HBD
94.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
EC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | EC50 | 8.28 | 8.28 | 5.3 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 7.58 | 7.175 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | EC50 | = | 5.3 | nM | 8.28 | Inhibition of Nav1.2 (unknown origin) by cell based assay | 28143690 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 26.0 | nM | 7.58 | Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhib... | 28143690 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 170.0 | nM | 6.77 | Antagonist activity at human Nav1.2 expressed in HEK293T cells assessed as inhib... | 28143690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28143690 | 10.1016/j.bmcl.2017.01.054 | Sodium channel protein type 2 subunit alpha | 6 |
| 28143690 | 10.1016/j.bmcl.2017.01.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine