Compound Detail
CHEMBL371796
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Basic Information
| ChEMBL ID | CHEMBL371796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIAYYCHNLYHTSB-JKSUJKDBSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
2.07
ALogP
4
HBA
3
HBD
106.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.82 | 5.3975 | 1520.0 | 4 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | Ki | 5.07 | 5.07 | 8490.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | Ki | 4.66 | 4.66 | 22100.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | Ki | 4.37 | 4.37 | 42900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1520.0 | nM | 5.82 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 2600.0 | nM | 5.58 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 5050.0 | nM | 5.3 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2c | Ki | = | 8490.0 | nM | 5.07 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 12900.0 | nM | 4.89 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2b | Ki | = | 22100.0 | nM | 4.66 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2a | Ki | = | 42900.0 | nM | 4.37 | 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