olodaterol
SMILES | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C |
InChIKey | COUYJEVMBVSIHV-SFHVURJKSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 7 |
Molecular weight (Da) | 386.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Structure pdb | 8JJL |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 10.0 | 10.0 | 10.0 | Guide to Pharmacology |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.91 | 7.23 | 7.56 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 10.06 | 10.38 | 10.7 | ChEMBL |