Compound Detail
CHEMBL1269882
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Basic Information
| ChEMBL ID | CHEMBL1269882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLDMXXWILKZITA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.64
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 6.96 | 6.96 | 110.0 | 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 | = | 2.0 | nM | 8.7 | Inhibition of human NaV1.8 by electrophysiology | 20855211 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 9.0 | nM | 8.05 | Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiolo... | 20855211 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 110.0 | nM | 6.96 | 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 |
| 20855211 | 10.1016/j.bmcl.2010.08.121 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine