Compound Detail
CHEMBL424117
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
Basic Information
| ChEMBL ID | CHEMBL424117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBWAIROHOVDOHM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
3.48
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 8.7 | nM | 8.06 | Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor site... | 1479589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479589 | 10.1021/jm00104a016 | Serotonin 3 (5-HT3) receptor | 2 |
Data from ChEMBL 36 via Core Engine