CHEMBL4651111


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21
InChIKey IENFGCJKCCNIMB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 8
Rotatable bonds 45
Molecular weight (Da) 1967.9

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 6.39 6.39 6.39 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.54 8.54 8.54 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.12 7.12 7.12 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.2 9.2 9.2 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 8.25 8.57 8.85 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 8.0 8.0 8.0 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
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 7.43 7.43 7.43 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.62 7.69 7.76 ChEMBL