Compound Detail
CHEMBL36865
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 | CHEMBL36865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPUJWWMAAZVULK-MDWZMJQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
3.50
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | IC50 | = | 300.0 | nM | 6.52 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
| Sodium-dependent serotonin transporter | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 2 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine