Compound Detail
CHEMBL1270301
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Basic Information
| ChEMBL ID | CHEMBL1270301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVBTXSATVJWRLA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
4.72
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5158 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 8.0 | nM | 8.1 | Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiolo... | 20855211 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human NaV1.8 by electrophysiology | 20855211 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 26.0 | nM | 7.58 | Inhibition of mouse NaV1.8 by electrophysiology | 20855211 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human NaV1.2 by electrophysiology | 20855211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20855211 | 10.1016/j.bmcl.2010.08.121 | Sodium channel protein type 10 subunit alpha | 3 |
| 20855211 | 10.1016/j.bmcl.2010.08.121 | Sodium channel protein type 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine