Compound Detail
CHEMBL178698
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O=C(NCCc1ccccc1)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL178698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNTMJYGGFKSIKJ-XDJHFCHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.4
MW (Da)
6.07
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 224.0 | nM | 6.65 | 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