Compound Detail
CHEMBL169450
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Basic Information
| ChEMBL ID | CHEMBL169450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRUKZAGWAZWZBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
3.95
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 79.43 | nM | 7.1 | Competitive inhibition of [3H]spiperone binding to the human dopamine receptor D... | 9083471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083471 | 10.1021/jm9605952 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine