Compound Detail
CHEMBL482266
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Fc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL482266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIUZLZDVUZGHIP-DKXQDJALSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
6.31
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 640.0 | nM | 6.19 | Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site | 18571421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571421 | 10.1016/j.bmc.2008.05.075 | 5-hydroxytryptamine receptor 1A | 2 |
| 18571421 | 10.1016/j.bmc.2008.05.075 | Sodium-dependent serotonin transporter | 1 |
| 18571421 | 10.1016/j.bmc.2008.05.075 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine