Compound Detail
CHEMBL348881
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Basic Information
| ChEMBL ID | CHEMBL348881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABXZOXDTHTTZJW-LBPRGKRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
1.94
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2095166 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Adrenergic receptor alpha CHEMBL2094111 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Ki | = | 300.0 | nM | 6.52 | Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat... | 6248642 |
| Dopamine receptor | Ki | = | 2000.0 | nM | 5.7 | Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum me... | 6248642 |
| Adrenergic receptor alpha | Ki | = | 5000.0 | nM | 5.3 | Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral... | 6248642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6248642 | 10.1021/jm00180a013 | Adrenergic receptor beta | 1 |
| 6248642 | 10.1021/jm00180a013 | Dopamine receptor | 1 |
| 6248642 | 10.1021/jm00180a013 | Adrenergic receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine