Compound Detail
CHEMBL4750216
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Basic Information
| ChEMBL ID | CHEMBL4750216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNITVWNCNFQVDG-MRVPVSSYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.7
MW (Da)
1.46
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 7.3 | 7.3 | 50.1 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 5.012 | nM | 8.3 | Agonist activity at 5-HT2CR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at 5-HT2BR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at 5-HT2AR (unknown origin) transfected in human HEK293 cells b... | 33636307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636307 | 10.1016/j.bmcl.2021.127872 | 5-hydroxytryptamine receptor 2A | 2 |
| 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