Compound Detail
CHEMBL336295
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 | CHEMBL336295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWXFTDUHWKXJTL-GOSISDBHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
4.57
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.95 | 6.95 | 113.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 23.0 | nM | 7.64 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(3) dopamine receptor | Ki | = | 113.0 | nM | 6.95 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
| D(2) dopamine receptor | Ki | = | 550.0 | nM | 6.26 | Binding affinity was evaluated by calculating competition for [3H]spiperone bind... | 8863800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863800 | 10.1021/jm960345l | D(2) dopamine receptor | 2 |
| 8863800 | 10.1021/jm960345l | D(3) dopamine receptor | 1 |
| 8863800 | 10.1021/jm960345l | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine