Compound Detail
CHEMBL160391
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Basic Information
| ChEMBL ID | CHEMBL160391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCAHRQVSTZKWEH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
5.71
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.32 | 7.32 | 48.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.46 | 5.46 | 3430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 48.0 | nM | 7.32 | Binding affinity at dopamine transporter from rat caudate-putamen tissue by [3H]... | 12639545 |
| Sodium-dependent serotonin transporter | Ki | = | 3430.0 | nM | 5.46 | Binding affinity at serotonin transporter from rat caudate-putamen tissue by [3H... | 12639545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12639545 | 10.1016/s0960-894x(02)01051-x | Sodium-dependent dopamine transporter | 1 |
| 12639545 | 10.1016/s0960-894x(02)01051-x | Sodium-dependent serotonin transporter | 1 |
| 12639545 | 10.1016/s0960-894x(02)01051-x | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine