Compound Detail
CHEMBL281408
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Basic Information
| ChEMBL ID | CHEMBL281408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWOWBKXVYZRYSP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
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 5.77
Ki 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 5.77 | 5.77 | 1698.2 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 1698.24 | nM | 5.77 | The ability to inhibit the 5-HT-induced contraction of isolated rat fundus muscl... | 6815326 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 8000.0 | nM | 5.1 | Binding affinity towards human 5-hydroxytryptamine 6 receptor | 12825922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120280 | 10.1021/jm00350a005 | Rattus norvegicus | 9 |
| 31977208 | 10.1021/acs.jmedchem.9b01404 | Danio rerio | 2 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 6 | 1 |
| 6815326 | 10.1021/jm00353a021 | Rattus norvegicus | 1 |
| 6779006 | 10.1021/jm00185a014 | Rattus norvegicus | 1 |
| 31977208 | 10.1021/acs.jmedchem.9b01404 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine