Compound Detail
CHEMBL325457
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NC(=O)NCc1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c23)cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL325457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMIMNQPCIGMPFI-IPZCTEOASA-M |
| Parent Compound | CHEMBL1206921 |
| Active Moiety | CHEMBL1206921 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
447.3
MW (Da)
3.99
ALogP
3
HBA
5
HBD
137.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.67 | 8.67 | 2.1 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | Ki | 4.68 | 4.68 | 20893.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 2.138 | nM | 8.67 | Inhibition of [3H]glycine binding to N-methyl-D-aspartate glutamate receptor in ... | 10479281 |
| Glutamate receptor ionotropic, kainate | Ki | = | 20892.96 | nM | 4.68 | Inhibition of binding of [3H]kainate to Ionotropic glutamate receptor kainate in... | 10479281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479281 | 10.1021/jm980576n | Rattus norvegicus | 10 |
| 10479281 | 10.1021/jm980576n | Mus musculus | 2 |
| 10479281 | 10.1021/jm980576n | Unchecked | 2 |
| 10479281 | 10.1021/jm980576n | Glutamate NMDA receptor | 1 |
| 10479281 | 10.1021/jm980576n | Albumin | 1 |
| 10479281 | 10.1021/jm980576n | Glutamate receptor ionotropic, AMPA | 1 |
| 10479281 | 10.1021/jm980576n | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine