CHEMBL39804
SMILES | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 |
InChIKey | YLXXVTQNENXHGV-NDEPHWFRSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 562.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |