Compound Detail
CHEMBL170745
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Basic Information
| ChEMBL ID | CHEMBL170745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPUCINDJVBIVPJ-JALIKCBVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.87
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.01 | 5.01 | 9820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 9820.0 | nM | 5.01 | Inhibition of [3H]WIN-35428 binding to rat striatal membrane dopamine transporte... | 2002468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2002468 | 10.1021/jm00107a003 | Sodium-dependent dopamine transporter | 2 |
| 2002468 | 10.1021/jm00107a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine