Compound Detail
CHEMBL550222
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Basic Information
| ChEMBL ID | CHEMBL550222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWEHMLBGRQZUJA-UHFFFAOYSA-N |
4
Targets
21
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
3.39
ALogP
6
HBA
1
HBD
52.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 21 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.46 | 7.91 | 0.3 | 9 |
| D(4) dopamine receptor CHEMBL219 | Ki | 9.2 | 8.195 | 0.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 7.96 | 6.8929 | 11.0 | 7 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.8 | 7.6033 | 16.0 | 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