CHEMBL4594173


SMILES CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey DVVZHJCUNXOYDW-KYJUHHDHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 23
Molecular weight (Da) 614.4

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
β1 ADRB1 Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.89 8.89 8.89 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.12 9.12 9.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 7.58 7.58 7.58 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.18 8.5 8.81 ChEMBL