Compound Detail
CHEMBL131272
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 | CHEMBL131272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSCOHHUVHWAXLK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
239.7
MW (Da)
2.88
ALogP
3
HBA
2
HBD
50.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate [NMDA] receptor | IC50 | = | 5000.0 | nM | 5.3 | Compound was evaluated for in vitro inhibition of myenteric plexus, guinea pig a... | 7990104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 1 |
| 7990104 | 10.1021/jm00050a001 | Glutamate [NMDA] receptor | 1 |
| 7990104 | 10.1021/jm00050a001 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine