Compound Detail
CHEMBL2062932
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Basic Information
| ChEMBL ID | CHEMBL2062932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOLHNEGPSRUZLZ-CHWSQXEVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.2
MW (Da)
2.27
ALogP
4
HBA
2
HBD
64.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 8.04 | 8.04 | 9.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 9.1 | nM | 8.04 | Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after... | 23066448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23066448 | 10.1021/ml3000098 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine