Compound Detail
CHEMBL52666
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[Cl-].c1ccc(CCCn2cc[n+]3c2C2c4ccccc4C3CC2(c2ccoc2)c2ccoc2)cc1
Basic Information
| ChEMBL ID | CHEMBL52666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNOPMWYNUPOXKX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1178983 |
| Active Moiety | CHEMBL1178983 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
6.02
ALogP
3
HBA
0
HBD
35.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity against phencyclidine (PCP) site of N-methyl-D-aspartate glutam... | 7752207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752207 | 10.1021/jm00010a028 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine