Compound Detail
CHEMBL341692
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CCCCCCCCCC(=O)OC(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL341692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXQPQADYPIEKQC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
8.50
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.76 | 8.76 | 1.7 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.74 | 7.74 | 18.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.73 | nM | 8.76 | Binding affinity against Serotonin transporter (SERT) labelled with [125I]RTI-55... | 10585212 |
| Sodium-dependent dopamine transporter | Ki | = | 18.2 | nM | 7.74 | Binding affinity against dopamine transporter labelled with [125I]- RTI-55 in ra... | 10585212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8941381 | 10.1021/jm960551t | Monkey | 5 |
| 10585212 | 10.1021/jm990291q | Sodium-dependent dopamine transporter | 1 |
| 10585212 | 10.1021/jm990291q | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine