Compound Detail
CHEMBL9777
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Basic Information
| ChEMBL ID | CHEMBL9777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLCQPNQDJHQTGJ-MRVPVSSYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
1.00
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 31000.0 | nM | 4.51 | Displacement of [3H]CPP from NMDA receptor | 11297452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11297452 | 10.1021/jm000441t | Glutamate receptor ionotropic, AMPA | 1 |
| 11297452 | 10.1021/jm000441t | Glutamate NMDA receptor | 1 |
| 11297452 | 10.1021/jm000441t | Glutamate receptor ionotropic, kainate | 1 |
| 11297452 | 10.1021/jm000441t | Rattus norvegicus | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 1 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 5 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 2 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine