Compound Detail
CHEMBL80369
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Basic Information
| ChEMBL ID | CHEMBL80369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPEGJUMHLTXVJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.90
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 3.162 | nM | 8.5 | Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3... | - |
| D(1A) dopamine receptor | Ki | = | 7.943 | nM | 8.1 | Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00413-N | D(1A) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00413-N | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine