Compound Detail
CHEMBL324269
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Basic Information
| ChEMBL ID | CHEMBL324269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTPZQRWLIAELHU-YHZLUUAOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
4.67
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.42 | 6.42 | 385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]-citalopram from Serotonin transporter | 12951108 |
| Sodium-dependent dopamine transporter | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]WIN-35428 from Dopamine transporter | 12951108 |
| Sodium-dependent noradrenaline transporter | Ki | = | 385.0 | nM | 6.42 | Displacement of [3H]-Nisoxetine from norepinephrine transporter | 12951108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951108 | 10.1016/s0960-894x(03)00660-7 | Sodium-dependent serotonin transporter | 2 |
| 12951108 | 10.1016/s0960-894x(03)00660-7 | Sodium-dependent dopamine transporter | 2 |
| 12951108 | 10.1016/s0960-894x(03)00660-7 | Sodium-dependent noradrenaline transporter | 2 |
Data from ChEMBL 36 via Core Engine