Compound Detail
CHEMBL4083829
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Basic Information
| ChEMBL ID | CHEMBL4083829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVPQFRVLZKVKF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
5.57
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | EC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 2400.0 | nM | 5.62 | Positive allosteric modulation of recombinant rat GluN1/GluN2C receptor expresse... | 28586221 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 3000.0 | nM | 5.52 | Positive allosteric modulation of recombinant rat GluN1/GluN2D receptor expresse... | 28586221 |
| Glutamate NMDA receptor; Grin1/Grin2b | EC50 | = | 7800.0 | nM | 5.11 | Positive allosteric modulation of recombinant rat GluN1/GluN2B receptor expresse... | 28586221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Glutamate NMDA receptor; Grin1/Grin2c | 3 |
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Glutamate NMDA receptor; Grin1/Grin2b | 3 |
| 28586221 | 10.1021/acs.jmedchem.7b00239 | Ionotropic glutamate receptor NMDA 1/2D | 3 |
Data from ChEMBL 36 via Core Engine