CHEMBL54749
SMILES | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 |
InChIKey | DFFJRFOVPUGAIZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 453.2 |
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 | 8.43 | 8.43 | 8.43 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |