Compound Detail
CHEMBL436069
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Basic Information
| ChEMBL ID | CHEMBL436069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSIYCDBIJAEPRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.8
MW (Da)
4.33
ALogP
3
HBA
1
HBD
45.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 3.9 | nM | 8.41 | Binding affinity to the serotonin transporter (SERT) measured by displacement of... | 14640559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 1A | 1 |
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 2A | 1 |
| 14640559 | 10.1021/jm0309349 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine