Compound Detail
CHEMBL55822
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Basic Information
| ChEMBL ID | CHEMBL55822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQDZONRLCYGYMJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
3.75
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.17 | 5.22 | 680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 680.0 | nM | 6.17 | In vitro inhibition of serotonin (5-HT) uptake in crude rat brain synaptosomes | 3257267 |
| Rattus norvegicus | IC50 | = | 54000.0 | nM | 4.27 | In vitro inhibition of norepinephrine (NE) uptake in crude rat brain synaptosome... | 3257267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3257267 | 10.1021/jm00396a030 | Rattus norvegicus | 2 |
| 3257267 | 10.1021/jm00396a030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine