CHEMBL1852632
SMILES | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 |
InChIKey | JVVREJHHLJKHIA-HKBQPEDESA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 7 |
Rotatable bonds | 20 |
Molecular weight (Da) | 598.4 |
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 | 7.9 | 7.9 | 7.9 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.5 | 9.5 | 9.5 | ChEMBL |