CHEMBL3629360


SMILES O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1
InChIKey OLYUOAVKDLVFLJ-PIFUBOJPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 704.4

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.96 8.96 8.96 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.8 9.8 9.8 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.85 9.85 9.85 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.54 9.54 9.54 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.46 9.46 9.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 7.89 7.89 7.89 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.68 7.68 7.68 ChEMBL