CHEMBL3298986


SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1
InChIKey JRRKWFRTDFOWAB-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 11
Molecular weight (Da) 502.3

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
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.2 6.2 6.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 8.2 8.2 8.2 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.0 9.55 10.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.2 7.2 7.2 ChEMBL