Compound Detail
CHEMBL3084973
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Basic Information
| ChEMBL ID | CHEMBL3084973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBEURBQLLHBFBQ-BWTSREIZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.78
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 2000.0 | nM | 5.7 | Ability to inhibit binding of [3H]WIN-35428 to dopamine transporter in rat cauda... | 11277529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277529 | 10.1016/s0960-894x(01)00068-3 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine