Compound Detail
CHEMBL50159
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Basic Information
| ChEMBL ID | CHEMBL50159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXIKRFHCCSPAAW-OJERSXHUSA-N |
| Parent Compound | CHEMBL1178924 |
| Active Moiety | CHEMBL1178924 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.8
MW (Da)
2.74
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.69
Ki 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.69 | 7.365 | 20.6 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 20.6 | nM | 7.69 | Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal... | 15026075 |
| Dopamine receptor | IC50 | = | 91.2 | nM | 7.04 | Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat st... | 15026075 |
| Unchecked | Ki | = | 2220.0 | nM | 5.65 | Ability to displace 0.4 nM [3H]paroxetine binding to 5-hydroxytryptamine recepto... | 15026075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026075 | 10.1016/j.bmcl.2003.12.097 | Dopamine receptor | 2 |
| 15026075 | 10.1016/j.bmcl.2003.12.097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine