Compound Detail
CHEMBL4747291
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4747291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCZLKBAQARPHLD-SNVBAGLBSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
203.3
MW (Da)
1.11
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.61
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 8.53 | 8.53 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.35 | 7.35 | 44.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 1.995 | nM | 8.7 | Agonist activity at 5-HT2CR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 2.47 | nM | 8.61 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2B | Ki | = | 2.95 | nM | 8.53 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 39.81 | nM | 7.4 | Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 44.9 | nM | 7.35 | Radioligand Binding Assay: Radioligand binding assays were performed using the c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2B | 2 |
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2C | 2 |
Data from ChEMBL 36 via Core Engine