Compound Detail
CHEMBL179053
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Basic Information
| ChEMBL ID | CHEMBL179053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHFXDTQRUYQNOI-OWOJBTEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
530.2
MW (Da)
4.71
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.55 | 7.55 | 28.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 3.2 | nM | 8.49 | Binding affinity for human dopamine D3 receptor | 15689168 |
| D(2) dopamine receptor | Ki | = | 28.1 | nM | 7.55 | Binding affinity for human dopamine D2 receptor | 15689168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689168 | 10.1021/jm049465g | No relevant target | 1 |
| 15689168 | 10.1021/jm049465g | D(2) dopamine receptor | 1 |
| 15689168 | 10.1021/jm049465g | D(3) dopamine receptor | 1 |
| 15689168 | 10.1021/jm049465g | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine