CHEMBL347582
SMILES | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 |
InChIKey | NKVSVXNFJOOTMR-CLOONOSVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 515.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 8.2 | 8.2 | 8.2 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |