Compound Detail
CHEMBL2347171
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 | CHEMBL2347171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEYRPCLYYYKUPW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
2.93
ALogP
2
HBA
2
HBD
41.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.27 | 6.27 | 539.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 539.0 | nM | 6.27 | Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpre... | 23581551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23581551 | 10.1021/jm4001538 | Myeloperoxidase | 2 |
| 23581551 | 10.1021/jm4001538 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine