Compound Detail
CHEMBL365515
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Basic Information
| ChEMBL ID | CHEMBL365515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZCXTGRGGXYURS-JKSUJKDBSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
0.85
ALogP
5
HBA
3
HBD
124.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.84 | 5.6125 | 1460.0 | 4 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | Ki | 5.36 | 5.36 | 4420.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | Ki | 5.1 | 5.1 | 7970.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | Ki | 5.03 | 5.03 | 9360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1460.0 | nM | 5.84 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 1800.0 | nM | 5.75 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 2120.0 | nM | 5.67 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2c | Ki | = | 4420.0 | nM | 5.36 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Unchecked | Ki | = | 6450.0 | nM | 5.19 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2a | Ki | = | 7970.0 | nM | 5.1 | Inhibitory constant against (S)-glutamate and glycine evoked currents mediated b... | 15801853 |
| Glutamate NMDA receptor; Grin1/Grin2b | Ki | = | 9360.0 | nM | 5.03 | 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