CHEMBL76403
SMILES | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 |
InChIKey | GDXZPGVRXBBEKQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 6 |
Rotatable bonds | 12 |
Molecular weight (Da) | 618.3 |
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 | 7.11 | 7.11 | 7.11 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.1 | 4.1 | 4.1 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |