Compound Detail
CHEMBL31025
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Basic Information
| ChEMBL ID | CHEMBL31025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSVATMHGHAZWON-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.92
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.0 | 6.75 | 100.0 | 2 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 100.0 | nM | 7.0 | Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparatio... | 6130154 |
| Beta-1 adrenergic receptor | Kd | = | 316.23 | nM | 6.5 | Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparatio... | 6130154 |
| Beta-2 adrenergic receptor | Kd | = | 1258.93 | nM | 5.9 | Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation | 6130154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6130154 | 10.1021/jm00354a003 | Beta-1 adrenergic receptor | 4 |
| 6130154 | 10.1021/jm00354a003 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine