Compound Detail
CHEMBL157931
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Basic Information
| ChEMBL ID | CHEMBL157931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQLIVVYSTDBTMZ-GXTWGEPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
2.85
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 9.9 | nM | 8.0 | Evaluated for their affinity at the PCP site for displacement of [3H]TCP in rat ... | 8459395 |
| Rattus norvegicus | IC50 | = | 120.0 | nM | 6.92 | Compound was evaluated for the inhibition of glutamate-stimulated calcium influx... | 8459395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8459395 | 10.1021/jm00058a002 | No relevant target | 1 |
| 8459395 | 10.1021/jm00058a002 | Glutamate NMDA receptor | 1 |
| 8459395 | 10.1021/jm00058a002 | Rattus norvegicus | 1 |
| 8459395 | 10.1021/jm00058a002 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine