Compound Detail
CHEMBL335351
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CCOC1(OCC)C2c3c(O)cccc3C([n+]3ccccc32)C1(C)C.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL335351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZCMSPATQJULLP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1184151 |
| Active Moiety | CHEMBL1184151 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.52
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
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 NMDA receptor CHEMBL1907608 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 8.0 | nM | 8.1 | 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