Compound Detail
CHEMBL544216
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Basic Information
| ChEMBL ID | CHEMBL544216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTIZKXLAZBMALW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192898 |
| Active Moiety | CHEMBL1192898 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
256.4
MW (Da)
3.45
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of uptake of 5-HT in rat brain cortex | 7452682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7452682 | 10.1021/jm00186a005 | Sodium-dependent serotonin transporter | 2 |
| 7452682 | 10.1021/jm00186a005 | Norepinephrine transporter | 1 |
| 7452682 | 10.1021/jm00186a005 | Sodium-dependent dopamine transporter | 1 |
| 7452682 | 10.1021/jm00186a005 | Mus musculus | 1 |
| 7452682 | 10.1021/jm00186a005 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine