Compound Detail
CHEMBL553797
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Basic Information
| ChEMBL ID | CHEMBL553797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTZJOKALKLTLDD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.58
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sus scrofa CHEMBL613488 | IC50 | 6.18 | 5.0233 | 660.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sus scrofa | IC50 | = | 660.0 | nM | 6.18 | Tested for in vitro reuptake inhibition of [3H]norepinephrine in pig occipital s... | 3806599 |
| Sus scrofa | IC50 | = | 20000.0 | nM | 4.7 | Tested for in vitro reuptake inhibition of [3H]dopamine in pig striatal synaptos... | 3806599 |
| Sus scrofa | IC50 | = | 65000.0 | nM | 4.19 | Tested for in vitro reuptake inhibition of [3H]-5-hydroxy tryptamine in pig fron... | 3806599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806599 | 10.1021/jm00384a040 | Mus musculus | 5 |
| 3806599 | 10.1021/jm00384a040 | Sus scrofa | 3 |
Data from ChEMBL 36 via Core Engine