Compound Detail
CHEMBL2323581
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Basic Information
| ChEMBL ID | CHEMBL2323581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPAMWVVWOOAQG-FRFSOERESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.76
ALogP
4
HBA
0
HBD
26.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Ki 1 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 0.54 | nM | 9.27 | Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cel... | 23606928 |
| 5-hydroxytryptamine receptor 2B | IC50 | = | 13.0 | nM | 7.89 | Antagonist activity at human 5-HT2B receptor transfected in CHO cell assessed as... | 23606928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23606928 | 10.1021/ml3003814 | 5-hydroxytryptamine receptor 2B | 5 |
Data from ChEMBL 36 via Core Engine