Compound Detail
CHEMBL3893022
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Basic Information
| ChEMBL ID | CHEMBL3893022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XILFVITZBYZXHO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.7
MW (Da)
4.74
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.22 | 6.7633 | 6.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.7 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 6.0 | nM | 8.22 | Inhibition of inactivated state of recombinant human NaV1.7 expressed in HEK293 ... | 29737846 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 150.0 | nM | 6.82 | Displacement of [3H]GX-545 from recombinant human NaV1.7 expressed in HEK293 cel... | 29737846 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 5600.0 | nM | 5.25 | Electrophysiological Assay: Sodium currents were measured using the patch clamp ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29737846 | 10.1021/acs.jmedchem.7b01826 | Sodium channel protein type 9 subunit alpha | 2 |
| 29737846 | 10.1021/acs.jmedchem.7b01826 | No relevant target | 1 |
| 29737846 | 10.1021/acs.jmedchem.7b01826 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine