Compound Detail
CHEMBL2310882
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Basic Information
| ChEMBL ID | CHEMBL2310882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQZCTSZOSLGBFX-MMSZCKHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.60
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.93 | 7.93 | 11.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 11.7 | nM | 7.93 | 50% Inhibition against dopamine transporter (DAT) in rat striatal tissue by disp... | 12190324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190324 | 10.1021/jm020098n | Sodium-dependent serotonin transporter | 2 |
| 12190324 | 10.1021/jm020098n | Norepinephrine transporter | 2 |
| 12190324 | 10.1021/jm020098n | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine