Compound Detail
CHEMBL513352
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Basic Information
| ChEMBL ID | CHEMBL513352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUCAXHFLECNGRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
2.35
ALogP
7
HBA
1
HBD
57.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.46 | 7.46 | 34.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.09 | 7.09 | 81.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 34.8 | nM | 7.46 | Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 ... | 18410082 |
| D(2) dopamine receptor | Ki | = | 81.2 | nM | 7.09 | Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293... | 18410082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18410082 | 10.1021/jm701524h | D(2) dopamine receptor | 1 |
| 18410082 | 10.1021/jm701524h | D(3) dopamine receptor | 1 |
| 18410082 | 10.1021/jm701524h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine