Compound Detail
CHEMBL37164
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Basic Information
| ChEMBL ID | CHEMBL37164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSQPGLNGAOVHCG-ATVHPVEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.14
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | 6458703 |
| Norepinephrine transporter | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... | 6458703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6458703 | 10.1021/jm00144a025 | Norepinephrine transporter | 2 |
| 6458703 | 10.1021/jm00144a025 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine