Compound Detail
CHEMBL372022
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Basic Information
| ChEMBL ID | CHEMBL372022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXAWEOGMNHTNSL-ONEGZZNKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
3.81
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.18 | 8.18 | 6.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.8 | nM | 9.1 | Binding affinity for human dopamine D3 receptor | 15689168 |
| D(2) dopamine receptor | Ki | = | 6.6 | nM | 8.18 | 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