Compound Detail
CHEMBL3261690
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 | CHEMBL3261690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUEYPWRMXQMGBA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
6.38
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.97 | 7.97 | 10.7 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.42 | 7.42 | 37.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 10.7 | nM | 7.97 | Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choro... | 24717153 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 10.7 | nM | 7.97 | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat whole brain mem... | 26748694 |
| Sodium-dependent serotonin transporter | Ki | = | 37.9 | nM | 7.42 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membr... | 24717153 |
| Sodium-dependent serotonin transporter | Ki | = | 37.9 | nM | 7.42 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membr... | 26748694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24717153 | 10.1016/j.bmcl.2014.03.043 | Sodium-dependent serotonin transporter | 1 |
| 24717153 | 10.1016/j.bmcl.2014.03.043 | 5-hydroxytryptamine receptor 2C | 1 |
| 24717153 | 10.1016/j.bmcl.2014.03.043 | Liver microsome | 1 |
| 24717153 | 10.1016/j.bmcl.2014.03.043 | Liver | 1 |
| 26748694 | 10.1016/j.bmcl.2015.12.071 | 5-hydroxytryptamine receptor 2C | 1 |
| 26748694 | 10.1016/j.bmcl.2015.12.071 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine