Compound Detail
CHEMBL175989
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CC(=O)Nc1ccc(/C(=C\c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL175989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZKGOIGAHCGCNO-MDWZMJQESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.2
MW (Da)
4.76
ALogP
3
HBA
4
HBD
119.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.33 | 6.33 | 462.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 462.0 | nM | 6.33 | Antagonist activity of compound against rat N-methyl-D-aspartate glutamate recep... | 15715469 |
| Glutamate NMDA receptor | IC50 | = | 462.0 | nM | 6.33 | In vitro inhibitory concentration against binding of the [3H]glycine to strychni... | 15715469 |
| Rattus norvegicus | IC50 | = | 2560.0 | nM | 5.59 | In vitro inhibitory concentration against glutamate stimulated accumulation of c... | 15715469 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715469 | 10.1021/jm0491849 | Mus musculus | 3 |
| 15715469 | 10.1021/jm0491849 | Glutamate NMDA receptor | 2 |
| 15715469 | 10.1021/jm0491849 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine