Compound Detail
CHEMBL4247254
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 | CHEMBL4247254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSLFZBXARSUGS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
5.09
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.37 | 5.37 | 4270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 4270.0 | nM | 5.37 | Inhibition of human SERT expressed in HEK293 cells assessed as reduction in [3H]... | 30007567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30007567 | 10.1016/j.bmc.2018.06.043 | Sodium-dependent serotonin transporter | 1 |
| 30007567 | 10.1016/j.bmc.2018.06.043 | Sodium-dependent dopamine transporter | 1 |
| 30007567 | 10.1016/j.bmc.2018.06.043 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine