Compound Detail
CHEMBL426418
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O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL426418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKIGNYIGJZDJTH-YRNVUSSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
421.2
MW (Da)
4.71
ALogP
4
HBA
3
HBD
133.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 21.0 | nM | 7.68 | Antagonist activity of compound against rat N-methyl-D-aspartate glutamate recep... | 15715469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715469 | 10.1021/jm0491849 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine