Compound Detail
CHEMBL2331806
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 | CHEMBL2331806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGBUQJHROJPRNM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
0.54
ALogP
4
HBA
1
HBD
47.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]mesulergine from human 5HT2C receptor expressed in tsA201 ce... | 23301527 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in tsA201 cel... | 23301527 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]mesulergine from human 5HT2C receptor expressed in tsA201 ce... | 23301527 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in tsA201 cel... | 23301527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23301527 | 10.1021/jm301656h | 5-hydroxytryptamine receptor 2C | 3 |
| 23301527 | 10.1021/jm301656h | 5-hydroxytryptamine receptor 2A | 3 |
Data from ChEMBL 36 via Core Engine