Compound Detail
CHEMBL396537
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Basic Information
| ChEMBL ID | CHEMBL396537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQPMHMPOPMZPGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.57
ALogP
3
HBA
1
HBD
62.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1.0 | nM | 9.0 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 17391962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent serotonin transporter | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent dopamine transporter | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine