Compound Detail
CHEMBL3246230
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Basic Information
| ChEMBL ID | CHEMBL3246230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACEOROZUSOAKFS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3302368 |
| Active Moiety | CHEMBL3302368 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.49
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 6.03 | 6.03 | 933.2 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 5.83 | 5.83 | 1479.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 933.25 | nM | 6.03 | Antagonist activity at beta2 adrenoceptor in guinea pig trachea assessed as inhi... | 31474 |
| Beta-1 adrenergic receptor | Kd | = | 1479.11 | nM | 5.83 | Antagonist activity at beta1 adrenoceptor in guinea pig atrium assessed as inhib... | 31474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31474 | 10.1021/jm00208a015 | Beta-1 adrenergic receptor | 2 |
| 31474 | 10.1021/jm00208a015 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine