CHEMBL5542602


SMILES O=C(NCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(C(=O)C2CC(C(=O)O[C@H]3CN4CCC3CC4)(c3ccccc3)C2)cc1
InChIKey WGCKPVXJMKYCFT-LBIBYGOESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 706.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.8 8.8 8.8 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database