Compound Detail
CHEMBL22436
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Basic Information
| ChEMBL ID | CHEMBL22436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVKSSXLBKTYXKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.49
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.16 | 6.16 | 695.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 695.0 | nM | 6.16 | Inhibition of [3H]paroxetine binding to serotonin transporter (SERT) of rat cort... | 11881994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881994 | 10.1021/jm010939a | Sodium-dependent serotonin transporter | 1 |
| 11881994 | 10.1021/jm010939a | Sodium-dependent dopamine transporter | 1 |
| 11881994 | 10.1021/jm010939a | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine