Compound Detail
CHEMBL331968
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
O=C(/C=C/c1c(C(=O)[O-])[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(CNC(=O)NC2CC2)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL331968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGPOOECSZVHGKV-USRGLUTNSA-M |
| Parent Compound | CHEMBL1206982 |
| Active Moiety | CHEMBL1206982 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.3
MW (Da)
4.79
ALogP
3
HBA
5
HBD
123.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.25 | 8.25 | 5.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 5.623 | nM | 8.25 | Inhibition of [3H]glycine binding to N-methyl-D-aspartate glutamate receptor in ... | 10479281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479281 | 10.1021/jm980576n | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine