Compound Detail
CHEMBL1277514
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Basic Information
| ChEMBL ID | CHEMBL1277514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFMYRESYPSSSRX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
4.67
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL4017 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5158 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 83.0 | uL/min | 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 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant NaV1.8 expressed in HEK293 cells by conventional... | 20965738 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 52.0 | nM | 7.28 | Inhibition of tetrodotoxin-resistant NaV1.8 in rat dorsal root ganglion neurons ... | 20965738 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 490.0 | nM | 6.31 | Inhibition of mouse NaV1.8 expressed in HEK293 cells by isotopic efflux assay | 20965738 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human recombinant NaV1.2 by electrophysiology | 20965738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20965738 | 10.1016/j.bmc.2010.09.057 | Sodium channel protein type 10 subunit alpha | 3 |
| 20965738 | 10.1016/j.bmc.2010.09.057 | Unchecked | 2 |
| 20965738 | 10.1016/j.bmc.2010.09.057 | Sodium channel protein type 2 subunit alpha | 1 |
| 20965738 | 10.1016/j.bmc.2010.09.057 | ADMET | 1 |
| 20965738 | 10.1016/j.bmc.2010.09.057 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine