Compound Detail
CHEMBL23464
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Basic Information
| ChEMBL ID | CHEMBL23464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJYGMNQCYKVCSO-NSHDSACASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
2.52
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 0.6761 | nM | 9.17 | Antagonist activity at dopamine D2 receptor | 20728966 |
| D(2) dopamine receptor | IC50 | = | 2790.0 | nM | 5.55 | In vitro binding affinity at Dopamine receptor D2 in rat by displacing [3H]- spi... | 4040977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4040977 | 10.1021/jm00147a025 | Rattus norvegicus | 2 |
| 4040977 | 10.1021/jm00147a025 | D(2) dopamine receptor | 1 |
| 20728966 | 10.1016/j.ejmech.2010.07.056 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine