Compound Detail
CHEMBL5081078
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Basic Information
| ChEMBL ID | CHEMBL5081078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVEHQOPZXBHMNL-SNVBAGLBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
1.85
ALogP
4
HBA
3
HBD
105.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 7.44 | 7.44 | 36.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 36.0 | nM | 7.44 | Agonist activity at rat GluN1/GluN2C NMDA receptor expressed in Xenopus oocytes ... | 34918931 |
| Glutamate NMDA receptor; Grin1/Grin2a | EC50 | = | 53.0 | nM | 7.28 | Agonist activity at rat GluN1/GluN2A NMDA receptor expressed in Xenopus oocytes ... | 34918931 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 80.0 | nM | 7.1 | Agonist activity at rat GluN1/GluN2D NMDA receptor expressed in Xenopus oocytes ... | 34918931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Glutamate NMDA receptor; Grin1/Grin2a | 2 |
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Glutamate NMDA receptor; Grin1/Grin2c | 2 |
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Ionotropic glutamate receptor NMDA 1/2D | 2 |
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
Data from ChEMBL 36 via Core Engine