Compound Detail
CHEMBL181613
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Basic Information
| ChEMBL ID | CHEMBL181613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHXJIBSDVXHTMJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
3.74
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.19 | 7.19 | 64.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 64.7 | nM | 7.19 | Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex | 15686927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Sodium-dependent serotonin transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Sodium-dependent dopamine transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Norepinephrine transporter | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Monoamine transporters; serotonin & dopamine | 1 |
| 15686927 | 10.1016/j.bmcl.2004.12.014 | Monoamine transporters; Norepinephrine & serotonin | 1 |
Data from ChEMBL 36 via Core Engine