Compound Detail
CHEMBL435939
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Basic Information
| ChEMBL ID | CHEMBL435939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSIFTTPUSXNYII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.35
ALogP
8
HBA
1
HBD
88.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 5.26 | 5.26 | 5539.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 5539.0 | nM | 5.26 | Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expresse... | 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