CHEMBL4650973


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21
InChIKey IEEFWRMSEALUNN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 25
Molecular weight (Da) 1184.6

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 6.87 6.87 6.87 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKd 8.02 8.02 8.02 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.67 8.67 8.67 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.09 7.09 7.09 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.28 9.28 9.28 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 8.28 8.82 9.32 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 8.19 8.19 8.19 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.99 6.99 6.99 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.65 7.03 7.41 ChEMBL