Compound Detail
CHEMBL5081884
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Basic Information
| ChEMBL ID | CHEMBL5081884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGCDGFNMFBCJAB-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.68
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 7 subunit alpha CHEMBL3585 | IC50 | 6.85 | 6.175 | 140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.56 | 6.56 | 276.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | 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 7 subunit alpha | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]GX-545 Nav1.7 (unknown origin) expressed in HEK cells by liq... | 33682420 |
| Unchecked | IC50 | = | 278.0 | nM | 6.56 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 276.0 | nM | 6.56 | Radioligand Binding Assay: Binding of this radioligand was preformed in 5 mL bor... | - |
| Unchecked | IC50 | = | 278.0 | nM | 6.56 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Unchecked | IC50 | = | 276.0 | nM | 6.56 | Radioligand Binding Assay (EP) (In vitro Assay): Radioligand Binding Studies: Sa... | - |
| Sodium channel protein type 7 subunit alpha | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 1 hr in prese... | 33682420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33682420 | 10.1021/acs.jmedchem.1c00049 | Sodium channel protein type 7 subunit alpha | 3 |
| 33682420 | 10.1021/acs.jmedchem.1c00049 | ADMET | 2 |
| 33682420 | 10.1021/acs.jmedchem.1c00049 | Sodium channel protein type 5 subunit alpha | 1 |
| 33682420 | 10.1021/acs.jmedchem.1c00049 | No relevant target | 1 |
| 33682420 | 10.1021/acs.jmedchem.1c00049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine