Compound Detail
CHEMBL117551
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Basic Information
| ChEMBL ID | CHEMBL117551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAWJSXVOEPKRIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
3.60
ALogP
2
HBA
0
HBD
26.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 6.6 | 6.52 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 250.0 | nM | 6.6 | In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of ... | 9341912 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 360.0 | nM | 6.44 | In vitro affinity for 5-hydroxytryptamine 3 (5-HT3) receptor by displacement of ... | 9341912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9341912 | 10.1021/jm970060o | Serotonin 3 (5-HT3) receptor | 6 |
Data from ChEMBL 36 via Core Engine