Compound Detail
CHEMBL72319
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Basic Information
| ChEMBL ID | CHEMBL72319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEXWSMVZORVWML-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
5.47
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 6100.0 | nM | 5.21 | Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes | 12127543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent dopamine transporter | 1 |
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine