Compound Detail
CHEMBL222197
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Basic Information
| ChEMBL ID | CHEMBL222197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTECNPFZKVXOSX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.63
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 8.05 | 7.785 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 9.0 | nM | 8.05 | Displacement of [3H]Ro 25,6981 from NR2B NMDA receptor in rat forebrain | 17290978 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at NR2B NMDA receptor in Wistar rat neocortical cells assess... | 17290978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17290978 | 10.1021/jm060420k | Glutamate receptor ionotropic, NMDA 2B | 2 |
Data from ChEMBL 36 via Core Engine