Compound Detail
CHEMBL279074
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 | CHEMBL279074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFSSCUMAEUQXSV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.5
MW (Da)
4.75
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Ki 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 17.0 | nM | 7.77 | Affinity for dopamine transporter was assessed by the ability to displace [3H]WI... | 11881989 |
| Rattus norvegicus | IC50 | = | 82.0 | nM | 7.09 | Ability to inhibit [3H]dopamine uptake was measured in a chopped tissue assay | 11881989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881989 | 10.1021/jm010453u | Rattus norvegicus | 3 |
| 11881989 | 10.1021/jm010453u | Sodium-dependent dopamine transporter | 1 |
| 11881989 | 10.1021/jm010453u | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine