Compound Detail
CHEMBL5090386
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Basic Information
| ChEMBL ID | CHEMBL5090386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQMUKVINJQUGGQ-SECBINFHSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.7
MW (Da)
1.65
ALogP
6
HBA
3
HBD
148.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.13
IC50 1 meas. best 5.0
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2c | EC50 | = | 74.0 | nM | 7.13 | Agonist activity at rat GluN1/GluN2C NMDA receptor expressed in Xenopus oocytes ... | 34918931 |
| Unchecked | Ki | = | 100.0 | nM | 7.0 | Binding affinity at recombinant GluN1a/GluN2B NMDA receptor (unknown origin) exp... | 34918931 |
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 10000.0 | nM | 5.0 | Agonist activity at rat GluN1/GluN2B NMDA receptor expressed in Xenopus oocytes ... | 34918931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Unchecked | 5 |
| 34918931 | 10.1021/acs.jmedchem.1c01810 | Glutamate NMDA receptor; Grin1/Grin2b | 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 | 1 |
Data from ChEMBL 36 via Core Engine