Compound Detail
CHEMBL53342
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Basic Information
| ChEMBL ID | CHEMBL53342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTUOEPCDJYLTKH-DTPOWOMPSA-N |
| Parent Compound | CHEMBL1178997 |
| Active Moiety | CHEMBL1178997 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
2.39
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.48 | 7.21 | 33.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 33.0 | nM | 7.48 | Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal... | 15026075 |
| Dopamine receptor | IC50 | = | 114.0 | nM | 6.94 | Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat st... | 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