Compound Detail
CHEMBL139296
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CCOC1(OCC)C2c3cccc(OC)c3C([n+]3ccccc32)C1(C)C.F[P-](F)(F)(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL139296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAPUOUQDAGGPKY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1180717 |
| Active Moiety | CHEMBL1180717 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.83
ALogP
3
HBA
0
HBD
31.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.73 | 5.73 | 1843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 1843.0 | nM | 5.73 | Binding affinity was determined towards NMDA receptor using [3H]thienylcyclidine... | 7528282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7528282 | 10.1021/jm00052a003 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine