Compound Detail
CHEMBL246953
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 | CHEMBL246953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYQWSOGFMUPHGU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
6.08
ALogP
4
HBA
0
HBD
15.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 34.0 | nM | 7.47 | Binding affinity at human SERT | 17127059 |
| Sodium-dependent serotonin transporter | Ki | = | 36.0 | nM | 7.44 | Binding affinity at rat SERT | 17127059 |
| Histamine H3 receptor | Ki | = | 46.0 | nM | 7.34 | Binding affinity at human histamine H3 receptor | 17127059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17127059 | 10.1016/j.bmcl.2006.11.036 | Sodium-dependent serotonin transporter | 2 |
| 17127059 | 10.1016/j.bmcl.2006.11.036 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine