Compound Detail
CHEMBL3323095
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Basic Information
| ChEMBL ID | CHEMBL3323095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFUBIDIXOMIAL-UHFFFAOYSA-N |
4
Targets
13
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.48
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.77
Ki 6 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.92 | 8.92 | 1.2 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 8.77 | 7.965 | 1.7 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 8.47 | 7.465 | 3.4 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.42 | 8.42 | 3.8 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.4 | 8.4 | 4.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.29 | 7.505 | 5.1 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050161 | 10.1021/ml500053b | Sodium-dependent noradrenaline transporter | 2 |
| 25050161 | 10.1021/ml500053b | Sodium-dependent dopamine transporter | 2 |
| 25050161 | 10.1021/ml500053b | Sodium-dependent serotonin transporter | 2 |
| 25050161 | 10.1021/ml500053b | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine