CHEMBL1830618
SMILES | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 |
InChIKey | IKDADGNGNUKYHI-QLCFTWLVSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 28 |
Molecular weight (Da) | 883.4 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 7.0 | 7.11 | 7.21 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 7.38 | 7.72 | 8.12 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 9.03 | 9.2 | 9.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |