Compound Detail
CHEMBL1270999
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Basic Information
| ChEMBL ID | CHEMBL1270999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQMRGZVDASANKI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
5.58
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5158 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 300.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 300.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human NaV1.8 by electrophysiology | 20855211 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 380.0 | nM | 6.42 | Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiolo... | 20855211 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 400.0 | nM | 6.4 | Inhibition of mouse NaV1.8 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 | Unchecked | 2 |
| 20855211 | 10.1016/j.bmcl.2010.08.121 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine