Compound Detail
CHEMBL353333
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Basic Information
| ChEMBL ID | CHEMBL353333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBOZZWGMZPMXBO-HHTDUIENSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.2
MW (Da)
2.69
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.44
Ki 1 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 0.12 | nM | 9.92 | In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cell... | 12620070 |
| Sodium-dependent serotonin transporter | IC50 | = | 0.36 | nM | 9.44 | Binding affinity towards serotonin transporter (SERT) | 12620070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12620070 | 10.1021/jm0100180 | Sodium-dependent dopamine transporter | 1 |
| 12620070 | 10.1021/jm0100180 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine