Compound Detail
CHEMBL168470
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COc1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c23)cc1OC.[Na+]
Basic Information
| ChEMBL ID | CHEMBL168470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHTUVIWUAOSYFU-CVDVRWGVSA-M |
| Parent Compound | CHEMBL1205930 |
| Active Moiety | CHEMBL1205930 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.3
MW (Da)
4.84
ALogP
4
HBA
3
HBD
100.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 7.943 | nM | 8.1 | 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