Compound Detail
CHEMBL201027
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Basic Information
| ChEMBL ID | CHEMBL201027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKWFRNZOZWEGCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.33
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.29 | 6.29 | 519.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 102.0 | nM | 6.99 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expresse... | 16392820 |
| D(2) dopamine receptor | Ki | = | 519.0 | nM | 6.29 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D2(long) ex... | 16392820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392820 | 10.1021/jm050734s | D(3) dopamine receptor | 1 |
| 16392820 | 10.1021/jm050734s | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine