Compound Detail
CHEMBL231684
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Basic Information
| ChEMBL ID | CHEMBL231684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJEXZTOASHOTIX-WOJBJXKFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
5.19
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 4.29 | 4.29 | 51000.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | Ki | = | 51000.0 | nM | 4.29 | Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane | 17446076 |
| Sodium-dependent serotonin transporter | Ki | = | 73000.0 | nM | 4.14 | Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane | 17446076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent dopamine transporter | 1 |
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent serotonin transporter | 1 |
| 17446076 | 10.1016/j.bmc.2007.03.069 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine