Compound Detail
CHEMBL336423
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL336423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMLWVOVCQLQVJI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
0.67
ALogP
3
HBA
2
HBD
60.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.44
EC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | EC50 | = | 3600.0 | nM | 5.44 | Compound was evaluated for in vitro inhibition of [3H]TCP at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 36000.0 | nM | 4.44 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 3 |
Data from ChEMBL 36 via Core Engine