Compound Detail
CHEMBL425010
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Basic Information
| ChEMBL ID | CHEMBL425010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZRLZFDDKKLOGM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
4.23
ALogP
3
HBA
2
HBD
38.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.66 | 5.66 | 2177.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.45 | 5.45 | 3549.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 2177.0 | nM | 5.66 | In vitro displacement of [3H]paroxetine from human serotonin transporter express... | 15801845 |
| Sodium-dependent dopamine transporter | Ki | = | 3549.0 | nM | 5.45 | In vitro displacement of [3H]GBR-12935 from human dopamine transporter expressed... | 15801845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801845 | 10.1021/jm0400808 | Sodium-dependent serotonin transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent dopamine transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine