Compound Detail
CHEMBL95911
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Basic Information
| ChEMBL ID | CHEMBL95911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFCXENJCPDJVBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.59
ALogP
5
HBA
3
HBD
87.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | IC50 | = | 2900.0 | nM | 5.54 | Tested for Beta adrenergic receptor binding inhibition from canine ventricular t... | 1976812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1976812 | 10.1021/jm00172a033 | Canis familiaris | 2 |
| 1976812 | 10.1021/jm00172a033 | Adrenergic receptor beta | 1 |
| 1976812 | 10.1021/jm00172a033 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine