Compound Detail
CHEMBL139305
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CCOC1C2c3ccccc3C([n+]3ccccc32)C1(C)C.[O-][Cl+3]([O-])([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL139305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJOJTOPMYAAMOG-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180718 |
| Active Moiety | CHEMBL1180718 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.45
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.33 | 6.03 | 465.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 465.0 | nM | 6.33 | Binding affinity was determined towards NMDA receptor using [3H]thienylcyclidine... | 7528282 |
| Glutamate NMDA receptor | Ki | = | 1878.0 | 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 | 2 |
Data from ChEMBL 36 via Core Engine