Compound Detail
CHEMBL542366
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Basic Information
| ChEMBL ID | CHEMBL542366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZLBXRGFFCZFJX-HWAJWLCKSA-N |
| Parent Compound | CHEMBL1191290 |
| Active Moiety | CHEMBL1191290 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
4.52
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.62 | 6.5267 | 24.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 24.0 | nM | 7.62 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the abse... | 6198519 |
| Dopamine receptor | IC50 | = | 220.0 | nM | 6.66 | Concentration inhibiting the specific binding of [3H]naloxone by 50% in the pres... | 6198519 |
| Dopamine receptor | IC50 | = | 5000.0 | nM | 5.3 | Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | 6198519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6198519 | 10.1021/jm00368a011 | Dopamine receptor | 3 |
| 6198519 | 10.1021/jm00368a011 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine