CHEMBL4651018


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21
InChIKey CLKYBOTWHCENMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 24
Molecular weight (Da) 1104.6

Drug properties

Molecular type Small molecule
Endogenous/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 6.85 6.85 6.85 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.4 8.4 8.4 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.17 7.17 7.17 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.87 8.87 8.87 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 7.97 8.33 8.7 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 7.04 7.04 7.04 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.22 7.26 7.31 ChEMBL