Compound Detail
CHEMBL171432
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Basic Information
| ChEMBL ID | CHEMBL171432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVFBLZWKXKCXRZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
1.17
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL2289 | Kd | 7.53 | 7.53 | 29.5 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 29.51 | nM | 7.53 | Compound was evaluated for competitive antagonism of beta-2 adrenergic receptor ... | 6330358 |
| Beta-1 adrenergic receptor | Kd | = | 50.12 | nM | 7.3 | Compound was evaluated for competitive antagonism of beta-1 adrenergic receptor ... | 6330358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6330358 | 10.1021/jm00373a008 | Beta-1 adrenergic receptor | 1 |
| 6330358 | 10.1021/jm00373a008 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine