CHEMBL1078876
SMILES | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 |
InChIKey | DYXJOAWSFXOAAY-SANMLTNESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 444.3 |
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 | 7.12 | 7.12 | 7.12 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.72 | 4.72 | 4.72 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |