CHEMBL99599
SMILES | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 |
InChIKey | LCRJAKNCIMQCLJ-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 17 |
Molecular weight (Da) | 638.3 |
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 |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |