Compound Detail
CHEMBL3085403
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Basic Information
| ChEMBL ID | CHEMBL3085403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACETUMXAYKNQPZ-FVGYRXGTSA-N |
| Parent Compound | CHEMBL77492 |
| Active Moiety | CHEMBL77492 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.2
MW (Da)
2.08
ALogP
5
HBA
3
HBD
82.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 1.9 | nM | 8.72 | In vitro ability to inhibit the binding of [3H]spiperone to dopamine receptor D2... | 1969484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1969484 | 10.1021/jm00166a012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine