Compound Detail
CHEMBL117689
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Basic Information
| ChEMBL ID | CHEMBL117689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMAPUKLHAPDGKS-IUCAKERBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.01
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 34.0 | nM | 7.47 | In vitro binding to 5-hydroxytryptamine 2C receptor using [125 I]-DOI | 12877591 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 310.0 | nM | 6.51 | In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI | 12877591 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1000.0 | nM | 6.0 | Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using... | 12877591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12877591 | 10.1021/jm030064v | 5-hydroxytryptamine receptor 2A | 2 |
| 12877591 | 10.1021/jm030064v | 5-hydroxytryptamine receptor 2C | 1 |
| 12877591 | 10.1021/jm030064v | 5-hydroxytryptamine receptor 1A | 1 |
| 12877591 | 10.1021/jm030064v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine