CHEMBL4651104


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21
InChIKey KFMIEAZKENMLEL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 6
Rotatable bonds 34
Molecular weight (Da) 1686.9

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.51 7.51 7.51 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.59 8.59 8.59 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.66 7.66 7.66 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.59 9.59 9.59 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 9.19 9.19 9.19 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.64 8.64 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database