Compound Detail
CHEMBL113326
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 | CHEMBL113326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNBQZPWOJXNGJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
5.68
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 28.0 | nM | 7.55 | Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat who... | 10576696 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 72.0 | nM | 7.14 | Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine ... | 10576696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10576696 | 10.1016/s0960-894x(99)00570-3 | 5-hydroxytryptamine receptor 1A | 2 |
| 10576696 | 10.1016/s0960-894x(99)00570-3 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine