BRL 37344
| SMILES | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O |
| InChIKey | ZGGNJJJYUVRADP-ACJLOTCBSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 363.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.4 | 6.7 | 7.0 | Guide to Pharmacology |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.02 | 6.07 | 6.18 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 4.95 | 5.45 | 5.95 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.54 | 5.98 | 6.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pIC50 | 5.89 | 7.32 | 8.04 | ChEMBL |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 8.04 | 8.04 | 8.04 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pIC50 | 5.48 | 6.1 | 6.72 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.17 | 7.7 | 10.02 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.54 | 6.92 | 7.3 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 8.08 | 8.37 | 8.66 | ChEMBL |