Compound Detail
CHEMBL104550
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Basic Information
| ChEMBL ID | CHEMBL104550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYKHMWVVGNMFGN-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.3
MW (Da)
4.28
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 2.8 | nM | 8.55 | In vitro ability of compound to inhibit binding of [3H]spiperone to human Dopami... | 15163190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163190 | 10.1021/jm031111m | D(4) dopamine receptor | 1 |
| 15163190 | 10.1021/jm031111m | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine