Compound Detail
CHEMBL6920
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Basic Information
| ChEMBL ID | CHEMBL6920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCVCNAZGPOOIQN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
1.73
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 5 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | Kd | 8.6 | 8.4 | 2.5 | 2 |
| Cavia porcellus CHEMBL369 | Kd | 8.6 | 8.4 | 2.5 | 2 |
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 7.99 | 7.99 | 10.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 2.512 | nM | 8.6 | Negative log concentration effecting 50% blockade of isoproterenol-induced rate ... | 6135805 |
| Adrenergic receptor beta | Kd | = | 2.512 | nM | 8.6 | In Vitro inhibition of the beta adrenergic receptor in guinea pig atria | 6146718 |
| Cavia porcellus | Kd | = | 6.31 | nM | 8.2 | Inhibition of isoproterenol-induced responses in guinea pig trachea. | 6135805 |
| Adrenergic receptor beta | Kd | = | 6.31 | nM | 8.2 | In vitro blocking of beta adrenergic receptor in guinea pig trachea | 6146718 |
| Beta-2 adrenergic receptor | Kd | = | 10.23 | nM | 7.99 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6135805 | 10.1021/jm00362a004 | Cavia porcellus | 4 |
| 6146718 | 10.1021/jm00374a013 | Adrenergic receptor beta | 2 |
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
| 6146718 | 10.1021/jm00374a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine