Compound Detail
CHEMBL64084
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Basic Information
| ChEMBL ID | CHEMBL64084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGZHEOCPGHYCAZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
3.61
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Dopamine receptor CHEMBL2093868 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebr... | 6131130 |
| Dopamine receptor | IC50 | = | 390.0 | nM | 6.41 | Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striata... | 6131130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6131130 | 10.1021/jm00356a014 | Dopamine receptor | 1 |
| 6131130 | 10.1021/jm00356a014 | Rattus norvegicus | 1 |
| 6131130 | 10.1021/jm00356a014 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine