Compound Detail
CHEMBL4763861
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Basic Information
| ChEMBL ID | CHEMBL4763861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWUGVHZBVPDCAO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.98
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2B | Ki | = | 1995.26 | nM | 5.7 | Antagonist activity at 5HT2B receptor (unknown origin) by radioligand binding as... | 32853682 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3162.28 | nM | 5.5 | Antagonist activity at 5HT2C receptor (unknown origin) by radioligand binding as... | 32853682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2B | 2 |
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2C | 2 |
| 32853682 | 10.1016/j.bmcl.2020.127511 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine