Compound Detail
CHEMBL62608
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL62608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHZYUUJRRGZBGU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
2.24
ALogP
7
HBA
0
HBD
115.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL2986 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 11000.0 | nM | 4.96 | Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine... | 2362282 |
| Bos taurus | IC50 | = | 30000.0 | nM | 4.52 | Competitive inhibition against [3H]dopamine uptake in bovine striatal tissue | 2362282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2362282 | 10.1021/jm00169a036 | Sodium-dependent dopamine transporter | 1 |
| 2362282 | 10.1021/jm00169a036 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine