Compound Detail
CHEMBL167825
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Basic Information
| ChEMBL ID | CHEMBL167825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCNLRMWSMFETI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
2.32
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.43 | 9.43 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.37 | nM | 9.43 | Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT) | 11859009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11859009 | 10.1016/s0960-894x(02)00028-8 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine