Compound Detail
CHEMBL117419
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C[C@@H](NC(N)=O)c1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c23)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL117419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRIDIJMSVGEDGV-XLQUGOSLSA-M |
| Parent Compound | CHEMBL1205581 |
| Active Moiety | CHEMBL1205581 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
461.3
MW (Da)
4.55
ALogP
3
HBA
5
HBD
137.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.93 | 7.93 | 11.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 11.75 | nM | 7.93 | 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