Compound Detail
CHEMBL2397097
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Basic Information
| ChEMBL ID | CHEMBL2397097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQKQBPUGBNLURO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.84
ALogP
5
HBA
0
HBD
57.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.26
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2C CHEMBL4109 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 5000.0 | nM | 5.3 | Cell-Based Assay: The assay involves using a cell line that expresses the NR1 su... | - |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 5500.0 | nM | 5.26 | Activity at rat recombinant GluN1/GluN2D receptor assessed as potentiation of gl... | 23627311 |
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 6200.0 | nM | 5.21 | Activity at rat recombinant GluN1/GluN2C receptor assessed as potentiation of gl... | 23627311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23627311 | 10.1021/jm400177t | Ionotropic glutamate receptor NMDA 1/2D | 3 |
| 23627311 | 10.1021/jm400177t | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 23627311 | 10.1021/jm400177t | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 23627311 | 10.1021/jm400177t | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
Data from ChEMBL 36 via Core Engine