Compound Detail
CHEMBL431729
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Basic Information
| ChEMBL ID | CHEMBL431729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBIGCTQWHDNTLK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
4.05
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed ... | 9572885 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 5011.87 | nM | 5.3 | Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK ... | 9572885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2A | 1 |
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2C | 1 |
| 9572885 | 10.1021/jm970741j | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine