CHEMBL1683942
SMILES | C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12 |
InChIKey | URXYIXJBDQHQKL-NNROHFPBSA-O |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 5 |
Rotatable bonds | 17 |
Molecular weight (Da) | 722.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.34 | 8.34 | 8.34 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.05 | 9.05 | 9.05 | ChEMBL |