Compound Detail
CHEMBL298703
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 | CHEMBL298703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKXMGNSTADTLNN-MRLCAUJQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.51
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.19
Ki 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.26 | 6.26 | 554.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.94 | 5.94 | 1160.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.21 | 5.21 | 6090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 6.45 | nM | 8.19 | Inhibition of [3H]WIN-35428 binding at dopamine transporter was determined | 12723940 |
| Sodium-dependent serotonin transporter | Ki | = | 554.0 | nM | 6.26 | Inhibition of [3H]paroxetine binding at serotonin transporter was determined | 12723940 |
| Norepinephrine transporter | Ki | = | 1160.0 | nM | 5.94 | Affinity for norepinephrine transporter determined by [3H]nisoxetine displacemen... | 12723940 |
| Norepinephrine transporter | IC50 | = | 1930.0 | nM | 5.71 | Inhibition of [3H]nisoxetine binding at norepinephrine transporter | 12723940 |
| Sodium-dependent serotonin transporter | IC50 | = | 6090.0 | nM | 5.21 | Inhibition of [3H]paroxetine binding at serotonin transporter was determined | 12723940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723940 | 10.1021/jm030092d | Rattus norvegicus | 10 |
| 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