Compound Detail
CHEMBL354951
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Basic Information
| ChEMBL ID | CHEMBL354951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBZGYBAAFHXSCI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.84
ALogP
4
HBA
2
HBD
67.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.33
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL323 | Kd | 7.33 | 7.33 | 46.8 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.05 | 7.05 | 89.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Kd | = | 46.77 | nM | 7.33 | Antagonistic affinity measured as pA2 value on 5-hydroxytryptamine 2B receptor o... | 7699699 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 89.13 | nM | 7.05 | Selectivity as the ratio of Ki value towards 5-hydroxytryptamine 2C receptor to ... | 7699699 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2B | 1 |
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2C | 1 |
| 7699699 | 10.1021/jm00006a001 | 5-hydroxytryptamine receptor 2A | 1 |
| 7699699 | 10.1021/jm00006a001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine