Compound Detail
CHEMBL32029
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Basic Information
| ChEMBL ID | CHEMBL32029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFYHBTWTJDAYGW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.28
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.17
Ki 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.81 | 6.81 | 154.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 6.17 | 6.17 | 676.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 154.0 | nM | 6.81 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
| Rattus norvegicus | Kd | = | 676.08 | nM | 6.17 | The ability to inhibit the 5-HT-induced contraction of isolated rat fundus muscl... | 6815326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120280 | 10.1021/jm00350a005 | Rattus norvegicus | 9 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 6815326 | 10.1021/jm00353a021 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine