Compound Detail
CHEMBL542777
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Basic Information
| ChEMBL ID | CHEMBL542777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUKJBDYOWRHKKQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191646 |
| Active Moiety | CHEMBL1191646 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
1.56
ALogP
6
HBA
2
HBD
84.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL3252 | Kd | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 158.49 | nM | 6.8 | Antagonist activity was determined against beta-1 adrenergic receptor in spontan... | 2884312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2884312 | 10.1021/jm00389a008 | Rattus norvegicus | 3 |
| 2884312 | 10.1021/jm00389a008 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine