Compound Detail
CHEMBL553039
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Basic Information
| ChEMBL ID | CHEMBL553039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWRYMMTWSPKRJD-VROPFNGYSA-N |
| Parent Compound | CHEMBL1194640 |
| Active Moiety | CHEMBL1194640 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
4.02
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2095166 | IC50 | 8.96 | 7.73 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 1.09 | nM | 8.96 | Beta-adrenergic agonistic activity in rat proximal colon in presence of phentola... | - |
| Adrenergic receptor beta | IC50 | = | 319.0 | nM | 6.5 | Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzam... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80535-7 | Adrenergic receptor beta | 3 |
Data from ChEMBL 36 via Core Engine