Compound Detail
CHEMBL139348
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOC1(OCC)C2c3cc(Cl)ccc3C([n+]3ccccc32)C1(C)C.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL139348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJVNGNJVPSBCAJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180722 |
| Active Moiety | CHEMBL1180722 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.9
MW (Da)
4.47
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 12.0 | nM | 7.92 | 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