Compound Detail
CHEMBL131520
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NC(Cc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL131520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKTZQBLOPUZNDT-MWSTZMHHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
466.3
MW (Da)
2.62
ALogP
5
HBA
5
HBD
141.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 32.0 | nM | 7.5 | Tested for the binding affinity at glycine recognition site of the NMDA receptor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80093-1 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80093-1 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine