Compound Detail
CHEMBL562620
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Basic Information
| ChEMBL ID | CHEMBL562620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PONADOYAURXJAH-UHFFFAOYSA-N |
4
Targets
21
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.67
ALogP
5
HBA
0
HBD
33.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 21 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.92 | 8.78 | 1.2 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.36 | 6.4789 | 44.0 | 9 |
| Unchecked CHEMBL612545 | Ki | 7.34 | 6.7286 | 46.0 | 7 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.55 | 6.15 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19606869 | 10.1021/jm900690y | Unchecked | 24 |
| 19606869 | 10.1021/jm900690y | D(3) dopamine receptor | 9 |
| 19606869 | 10.1021/jm900690y | D(2) dopamine receptor | 3 |
| 19606869 | 10.1021/jm900690y | D(4) dopamine receptor | 2 |
| 19606869 | 10.1021/jm900690y | Dopamine receptors; D3 & D4 | 1 |
Data from ChEMBL 36 via Core Engine