Compound Detail
CHEMBL1162965
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Basic Information
| ChEMBL ID | CHEMBL1162965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEMWBYUAYXJYOC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.70
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Ki 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human SERT | 17766113 |
| Sodium-dependent serotonin transporter | Ki | = | 7.1 | nM | 8.15 | Binding inhibition towards human serotonin transporter | 16162005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162005 | 10.1021/jm0503291 | Sodium-dependent serotonin transporter | 1 |
| 16162005 | 10.1021/jm0503291 | Sodium-dependent dopamine transporter | 1 |
| 16162005 | 10.1021/jm0503291 | Sodium-dependent noradrenaline transporter | 1 |
| 17766113 | 10.1016/j.bmcl.2007.07.083 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine