Compound Detail
CHEMBL3251302
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Basic Information
| ChEMBL ID | CHEMBL3251302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKWMOJLWPNARMK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3303392 |
| Active Moiety | CHEMBL3303392 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.35
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL2370 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL4642 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | IC50 | = | 800.0 | nM | 6.1 | Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [... | 22757 |
| Sodium-dependent serotonin transporter | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT a... | 22757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22757 | 10.1021/jm00199a014 | Mus musculus | 14 |
| 22757 | 10.1021/jm00199a014 | Sodium-dependent noradrenaline transporter | 1 |
| 22757 | 10.1021/jm00199a014 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine