Compound Detail
CHEMBL367796
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 | CHEMBL367796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRPYKXHZFPGPRZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
1.94
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | EC50 | 6.5 | 6.485 | 316.2 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | EC50 | 5.8 | 5.8 | 1584.9 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | EC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2C | EC50 | = | 340.0 | nM | 6.47 | Effective concentration towards 5-hydroxytryptamine 2C receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1600.0 | nM | 5.8 | Effective concentration towards 5-hydroxytryptamine 2A receptors transfected in ... | 15713408 |
| 5-hydroxytryptamine receptor 2A | EC50 | = | 1584.89 | nM | 5.8 | Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as i... | 18095642 |
| 5-hydroxytryptamine receptor 2B | EC50 | = | 3981.07 | nM | 5.4 | Agonist activity at human 5HT2B receptor expressed in HEK293 cells assessed as i... | 18095642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2C | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2A | 1 |
| 15713408 | 10.1016/j.bmcl.2004.12.080 | 5-hydroxytryptamine receptor 2B | 1 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2A | 1 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2C | 1 |
| 18095642 | 10.1021/jm0709034 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine