L742791
SMILES | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I |
InChIKey | ZNTDIRUBXSTBGJ-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 568.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |