CHEMBL32939
SMILES | C[C@H](NCCc1ccc(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 |
InChIKey | PCMBMTRATNNIOQ-BUXKBTBVSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 9 |
Molecular weight (Da) | 422.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
β2 | ADRB2 | Rat | Adrenoceptors | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
β3 | ADRB3 | Rat | Adrenoceptors | A | pEC50 | 6.24 | 6.24 | 6.24 | ChEMBL |