Compound Detail
CHEMBL3287654
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CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCCCCCN(C)CCC[C@@]4(c5ccc(F)cc5)OCc5cc(C#N)ccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
Basic Information
| ChEMBL ID | CHEMBL3287654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDOQLXMDBHVEMJ-SMWREMLRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1049.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.75 | 6.675 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H]-S-citalopram from human SERT expressed in African green mon... | 24944746 |
| Sodium-dependent serotonin transporter | Ki | = | 250.0 | nM | 6.6 | Inhibition of 5-hydroxy[3H]tryptamine uptake at human SERT expressed in African ... | 24944746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24944746 | 10.1021/ml5000806 | Sodium-dependent serotonin transporter | 2 |
| 24944746 | 10.1021/ml5000806 | Sodium-dependent dopamine transporter | 1 |
| 24944746 | 10.1021/ml5000806 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine