CHEMBL1830620
SMILES | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 |
InChIKey | XSDXBRNBCVMTEE-JLHYYAGUSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 5 |
Rotatable bonds | 20 |
Molecular weight (Da) | 794.3 |
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 |
β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 6.48 | 6.62 | 6.75 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.06 | 6.29 | 6.52 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 7.33 | 7.42 | 7.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |