Compound Detail
CHEMBL317531
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Basic Information
| ChEMBL ID | CHEMBL317531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTXSJNGALDVWFP-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1183782 |
| Active Moiety | CHEMBL1183782 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
6.03
ALogP
2
HBA
0
HBD
3.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.33 | 7.19 | 47.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 47.0 | nM | 7.33 | Displacement of [3H]TCP from the TCP site of NMDA receptor in rat brain homogena... | 9873659 |
| Glutamate NMDA receptor | IC50 | = | 89.0 | nM | 7.05 | Displacement of [3H]TCP from the TCP site of NMDA receptor in rat brain homogena... | 9873659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873659 | 10.1016/s0960-894x(98)00541-1 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine