Compound Detail
CHEMBL396328
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Basic Information
| ChEMBL ID | CHEMBL396328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHMLFPOTZYRDKA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.2
MW (Da)
3.40
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 2.47 | nM | 8.61 | Displacement of [3H]nisoxetine from NET in rat brain membranes | 17095215 |
| Sodium-dependent dopamine transporter | Ki | = | 410.0 | nM | 6.39 | Displacement of [3H]GBR from DAT in rat brain membranes | 17095215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17095215 | 10.1016/j.bmcl.2006.10.018 | Norepinephrine transporter | 1 |
| 17095215 | 10.1016/j.bmcl.2006.10.018 | Sodium-dependent dopamine transporter | 1 |
| 17095215 | 10.1016/j.bmcl.2006.10.018 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine