mirabegron
SMILES | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O |
InChIKey | PBAPPPCECJKMCM-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 396.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Sankey plot
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 4.9 | 4.95 | 5.0 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.05 | 5.2 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.65 | 8.23 | 8.8 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pEC50 | 7.3 | 8.18 | 9.3 | Guide to Pharmacology |
β2 | ADRB2 | Rat | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.12 | 8.12 | 8.12 | Drug Central |