Compound Detail
CHEMBL112806
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Basic Information
| ChEMBL ID | CHEMBL112806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGEFSNVVXMZQNJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
6.02
ALogP
2
HBA
3
HBD
57.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.66 | 5.66 | 2190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 110.0 | nM | 6.96 | Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line... | 9703475 |
| Glutamate NMDA receptor | IC50 | = | 2190.0 | nM | 5.66 | Displacement of [3H]MK-801 from rat brain membrane N-methyl-D-aspartate glutamat... | 9703475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703475 | 10.1021/jm980134b | Sodium channel protein type 2 subunit alpha | 1 |
| 9703475 | 10.1021/jm980134b | Glutamate NMDA receptor | 1 |
| 9703475 | 10.1021/jm980134b | Unchecked | 1 |
| 9703475 | 10.1021/jm980134b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine