Compound Detail
CHEMBL4467653
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Basic Information
| ChEMBL ID | CHEMBL4467653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKNDODSBNIPGNL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
4.27
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680 | EC50 | 4.57 | 4.57 | 26700.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506 | EC50 | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2a | EC50 | = | 26700.0 | nM | 4.57 | Positive allosteric modulation of rat GluN1/GluN2A expressed in Xenopus laevis o... | 30622023 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 61000.0 | nM | 4.21 | Positive allosteric modulation of rat GluN1/GluN2D expressed in Xenopus laevis o... | 30622023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate receptor ionotropic, NMDA 2A | 3 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate receptor ionotropic, NMDA 2B | 3 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate receptor ionotropic, NMDA 2C | 3 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate receptor ionotropic, NMDA 2D | 3 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | Ionotropic glutamate receptor NMDA 1/2D | 1 |
| 30622023 | 10.1016/j.ejmech.2018.12.054 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine