Compound Detail
CHEMBL187935
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Basic Information
| ChEMBL ID | CHEMBL187935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFFZXSBVSKRSFL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.02
ALogP
4
HBA
2
HBD
49.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.3 | 7.3 | 50.6 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.71 | 6.71 | 194.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 50.58 | nM | 7.3 | In vitro inhibition of [3H]citalopram binding to human serotonin transporter exp... | 15974579 |
| Sodium-dependent noradrenaline transporter | Ki | = | 194.0 | nM | 6.71 | In vitro inhibition of [3H]nisoxetine binding to norepinephrine transporter expr... | 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 |
Data from ChEMBL 36 via Core Engine