Chembl558910


SMILES O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1
InChIKey HGMITUYOCPPQLE-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 337.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3UON 5ZK3
Ligand site mutations M1

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.8 9.8 9.8 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.66 9.97 10.52 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKd 9.7 9.7 9.7 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.82 9.82 9.82 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKd 9.49 9.49 9.49 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 9.05 9.05 9.05 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 9.4 9.4 9.4 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 9.44 9.44 9.44 ChEMBL