Compound Detail
CHEMBL4877693
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Basic Information
| ChEMBL ID | CHEMBL4877693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSBSFXRVVMCVOG-NBVRZTHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.2
MW (Da)
3.08
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scint... | 34049262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34049262 | 10.1016/j.ejmech.2021.113533 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine