Compound Detail
CHEMBL54628
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 | CHEMBL54628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFTMPSNNVZPRHJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
4.57
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL5032 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.88 | 6.88 | 133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.4 | nM | 8.85 | Inhibition of [3H]WIN-35428 binding to dopamine transporter using of Cynomolgus ... | 9191960 |
| Sodium-dependent serotonin transporter | IC50 | = | 133.0 | nM | 6.88 | Inhibition of [3H]- citalopram binding to serotonin transporter of Cynomolgus mo... | 9191960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191960 | 10.1021/jm960868t | Sodium-dependent dopamine transporter | 1 |
| 9191960 | 10.1021/jm960868t | Sodium-dependent serotonin transporter | 1 |
| 9191960 | 10.1021/jm960868t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine