Compound Detail
CHEMBL112237
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Basic Information
| ChEMBL ID | CHEMBL112237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHZKSHSMYOTECL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.58
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 9.17 | 9.17 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.68 | nM | 9.17 | Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor site... | 1479589 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.68 | nM | 9.17 | Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor si... | 8230119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1479589 | 10.1021/jm00104a016 | Serotonin 3 (5-HT3) receptor | 2 |
| 8230119 | 10.1021/jm00074a009 | Rattus norvegicus | 2 |
| 8230119 | 10.1021/jm00074a009 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine