Compound Detail
CHEMBL438682
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Basic Information
| ChEMBL ID | CHEMBL438682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQLXYFDUEYMEOO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
1.66
ALogP
5
HBA
1
HBD
81.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 4.17 | 4.17 | 67900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 67900.0 | nM | 4.17 | Inhibition of human DAT expressed in COS1 cells | 17517511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517511 | 10.1016/j.bmc.2007.05.015 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine