Compound Detail
CHEMBL372468
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Basic Information
| ChEMBL ID | CHEMBL372468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWWXIZOMXGOTPP-ZWKOTPCHSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.94
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.9 | 5.88 | 125.0 | 4 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | Ki | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | Ki | = | 96.0 | nM | 7.02 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 125.0 | nM | 6.9 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2b | Ki | = | 310.0 | nM | 6.51 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2a | Ki | = | 550.0 | nM | 6.26 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 1300.0 | nM | 5.89 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 3230.0 | nM | 5.49 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 5730.0 | nM | 5.24 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801853 | 10.1021/jm0492498 | Unchecked | 4 |
| 15801853 | 10.1021/jm0492498 | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 15801853 | 10.1021/jm0492498 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 15801853 | 10.1021/jm0492498 | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine