Compound Detail
CHEMBL6842
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Basic Information
| ChEMBL ID | CHEMBL6842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYVNZHBQYJRLEX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
175.3
MW (Da)
2.07
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.09 | 6.155 | 82.0 | 4 |
| Norepinephrine transporter CHEMBL304 | IC50 | 6.07 | 6.07 | 849.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 82.0 | nM | 7.09 | Activity towards Serotonin transporter was determined by the ability to inhibit ... | 9526575 |
| Rattus norvegicus | IC50 | = | 82.0 | nM | 7.09 | Inhibitory concentration against [3H]- 5-HT uptake in crude rat synaptosomes | 8246240 |
| Norepinephrine transporter | IC50 | = | 849.0 | nM | 6.07 | Compound was tested for the ability to inhibit [3H]norepinephrine binding to Nor... | 9526575 |
| Rattus norvegicus | IC50 | = | 849.0 | nM | 6.07 | Inhibitory concentration against [3H]- NE uptake in crude rat synaptosomes | 8246240 |
| Rattus norvegicus | IC50 | = | 1847.0 | nM | 5.73 | Compound was tested for its ability to inhibit [3H]dopamine uptake in rat synapt... | 9526575 |
| Rattus norvegicus | IC50 | = | 1847.0 | nM | 5.73 | Inhibitory concentration against [3H]- DA uptake in crude rat synaptosomes | 8246240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246240 | 10.1021/jm00075a027 | Rattus norvegicus | 30 |
| 9526575 | 10.1021/jm9705925 | Unchecked | 2 |
| 9526575 | 10.1021/jm9705925 | Sodium-dependent serotonin transporter | 1 |
| 9526575 | 10.1021/jm9705925 | Rattus norvegicus | 1 |
| 9526575 | 10.1021/jm9705925 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine