Compound Detail
CHEMBL183470
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Basic Information
| ChEMBL ID | CHEMBL183470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMYMNRFUWNCPOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.2
MW (Da)
3.64
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.12 | nM | 9.92 | Binding affinity for serotonin transporter expressed in LCK PK1 cells | 15456270 |
| Sodium-dependent noradrenaline transporter | Ki | = | 20.0 | nM | 7.7 | Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells | 15456270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456270 | 10.1021/jm049917p | Sodium-dependent serotonin transporter | 1 |
| 15456270 | 10.1021/jm049917p | Sodium-dependent dopamine transporter | 1 |
| 15456270 | 10.1021/jm049917p | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine