Compound Detail
CHEMBL51355
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 | CHEMBL51355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDJNTRXHKYKJDR-MRLCAUJQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.9
MW (Da)
3.53
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.86
Ki 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.86 | 8.86 | 1.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.95 | 5.95 | 1127.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.62 | 5.62 | 2370.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.41 | 5.41 | 3940.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.38 | nM | 8.86 | Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined | 12723940 |
| Sodium-dependent serotonin transporter | Ki | = | 1127.0 | nM | 5.95 | Inhibition of [3H]paroxetine binding at serotonin transporter was determined | 12723940 |
| Norepinephrine transporter | Ki | = | 2370.0 | nM | 5.62 | Affinity for norepinephrine transporter determined by [3H]nisoxetine displacemen... | 12723940 |
| Norepinephrine transporter | IC50 | = | 3940.0 | nM | 5.41 | Inhibition of [3H]nisoxetine binding at norepinephrine transporter | 12723940 |
| Sodium-dependent serotonin transporter | IC50 | = | 12400.0 | nM | 4.91 | Inhibition of [3H]paroxetine binding at serotonin transporter was determined | 12723940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723940 | 10.1021/jm030092d | Sodium-dependent serotonin transporter | 2 |
| 12723940 | 10.1021/jm030092d | Norepinephrine transporter | 2 |
| 12723940 | 10.1021/jm030092d | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine