Compound Detail
CHEMBL246118
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Basic Information
| ChEMBL ID | CHEMBL246118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHJFVDWSPOXOQQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.8
MW (Da)
4.27
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.04 | 6.04 | 919.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.35 | nM | 9.46 | Displacement of [3H]paroxetine from SERT in rat brain | 17658253 |
| Norepinephrine transporter | Ki | = | 919.0 | nM | 6.04 | Displacement of [3H]nisoxetine from NET in rat brain | 17658253 |
| Sodium-dependent dopamine transporter | Ki | = | 1840.0 | nM | 5.74 | Displacement of [3H]WIN-35428 from DAT in rat brain | 17658253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658253 | 10.1016/j.bmcl.2007.02.082 | Sodium-dependent serotonin transporter | 1 |
| 17658253 | 10.1016/j.bmcl.2007.02.082 | Sodium-dependent dopamine transporter | 1 |
| 17658253 | 10.1016/j.bmcl.2007.02.082 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine