Compound Detail
CHEMBL466538
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Basic Information
| ChEMBL ID | CHEMBL466538 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEKDVQNDZQYMPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.49
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 100.0 | nM | 7.0 | Displacement of [125I]RTI55 from DAT | 18393401 |
| Sodium-dependent serotonin transporter | Ki | = | 430.0 | nM | 6.37 | Displacement of [125I]RTI55 from SERT | 18393401 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18393401 | 10.1021/jm701270n | Sodium-dependent dopamine transporter | 1 |
| 18393401 | 10.1021/jm701270n | Sodium-dependent serotonin transporter | 1 |
| 18393401 | 10.1021/jm701270n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine