CHEMBL54750
SMILES | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 |
InChIKey | NSZJGTWPTVGGMS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 460.2 |
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 | 8.3 | 8.3 | 8.3 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |