Compound Detail
CHEMBL190700
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Basic Information
| ChEMBL ID | CHEMBL190700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USOGSVQPPWDNQD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.48
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 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.55 | 6.55 | 279.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.59 | nM | 8.8 | In vitro inhibition of [3H]citalopram binding to human serotonin transporter exp... | 15974579 |
| Sodium-dependent noradrenaline transporter | Ki | = | 4.95 | nM | 8.3 | In vitro inhibition of [3H]nisoxetine binding to norepinephrine transporter expr... | 15974579 |
| Sodium-dependent dopamine transporter | Ki | = | 279.0 | nM | 6.55 | In vitro inhibition of [3H]WIN-35428 binding to human dopamine transporter expre... | 15974579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974579 | 10.1021/jm050079o | Sodium-dependent serotonin transporter | 1 |
| 15974579 | 10.1021/jm050079o | Sodium-dependent dopamine transporter | 1 |
| 15974579 | 10.1021/jm050079o | Sodium-dependent noradrenaline transporter | 1 |
| 15974579 | 10.1021/jm050079o | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine