Compound Detail
CHEMBL279982
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Basic Information
| ChEMBL ID | CHEMBL279982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQEIHZMCJGGOEX-JTQLQIEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
1.52
ALogP
6
HBA
2
HBD
104.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 3020.0 | nM | 5.52 | In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spi... | 4040977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423592 | 10.1021/jm00054a002 | No relevant target | 3 |
| 4040977 | 10.1021/jm00147a025 | Rattus norvegicus | 2 |
| 4040977 | 10.1021/jm00147a025 | D(2) dopamine receptor | 1 |
| 8423592 | 10.1021/jm00054a002 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine