Compound Detail
CHEMBL275212
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Basic Information
| ChEMBL ID | CHEMBL275212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABXUYGWOEIXKBD-KTKRTIGZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
3.83
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.11 | nM | 9.96 | Inhibition of [125I]RTI-55 binding to human serotonin transporter expressed in h... | 14971892 |
| Sodium-dependent dopamine transporter | Ki | = | 22.0 | nM | 7.66 | In vitro binding affinity against human dopamine transporter in dog kidney cell ... | 14971892 |
| Sodium-dependent noradrenaline transporter | Ki | = | 450.0 | nM | 6.35 | In vitro binding affinity against human norepinephrine transporter in human embr... | 14971892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14971892 | 10.1021/jm030384e | Sodium-dependent serotonin transporter | 1 |
| 14971892 | 10.1021/jm030384e | Sodium-dependent dopamine transporter | 1 |
| 14971892 | 10.1021/jm030384e | Sodium-dependent noradrenaline transporter | 1 |
| 14971892 | 10.1021/jm030384e | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine