Compound Detail
CHEMBL168503
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COc1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c23)c(C)c1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL168503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEKSLKRKBBWPGP-CVDVRWGVSA-M |
| Parent Compound | CHEMBL1205931 |
| Active Moiety | CHEMBL1205931 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
5.14
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 19.95 | nM | 7.7 | Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-... | 9083472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083472 | 10.1021/jm960644a | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine