Compound Detail
CHEMBL274491
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Basic Information
| ChEMBL ID | CHEMBL274491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRVOJOCLBAAKSJ-KSSFIOAISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
3.78
ALogP
4
HBA
2
HBD
53.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.31
Ki 1 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.12 | nM | 9.92 | Compound was evaluated for binding affinity towards DA D-2 receptor using radiol... | 1535660 |
| D(2) dopamine receptor | IC50 | = | 0.49 | nM | 9.31 | Inhibitory concentration required for displacing radioligand [3H]SPI from DA D-2... | 1535660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1535660 | 10.1021/jm00091a002 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine