Compound Detail
CHEMBL2093943
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Basic Information
| ChEMBL ID | CHEMBL2093943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXFYPWNHKYOINK-URBRKQAFSA-N |
| Parent Compound | CHEMBL131724 |
| Active Moiety | CHEMBL131724 |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
249.4
MW (Da)
3.97
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 7.19 | 6.79 | 64.9 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.8 | 6.335 | 160.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.56 | 5.44 | 2748.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 64.9 | nM | 7.19 | Inhibition of norepinephrine (NE) into rat brain synaptosomes | 6747993 |
| Sodium-dependent dopamine transporter | Ki | = | 160.0 | nM | 6.8 | Inhibition of dopamine (DA) uptake into rat brain synaptosomes | 6747993 |
| Norepinephrine transporter | Ki | = | 411.0 | nM | 6.39 | Inhibition of norepinephrine (NE) into rat brain synaptosomes | 6747993 |
| Sodium-dependent dopamine transporter | Ki | = | 1345.0 | nM | 5.87 | Inhibition of dopamine (DA) uptake into rat brain synaptosomes | 6747993 |
| Sodium-dependent serotonin transporter | Ki | = | 2748.0 | nM | 5.56 | Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes | 6747993 |
| Sodium-dependent serotonin transporter | Ki | = | 4809.0 | nM | 5.32 | Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes | 6747993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6747993 | 10.1021/jm00374a001 | Mus musculus | 4 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent dopamine transporter | 2 |
| 6747993 | 10.1021/jm00374a001 | Norepinephrine transporter | 2 |
| 6747993 | 10.1021/jm00374a001 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine