CHEMBL5271406


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21
InChIKey BMNOFIWIZFZYES-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 27
Molecular weight (Da) 1159.5

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 8.26 8.26 8.26 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.06 9.06 9.06 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.85 8.97 9.85 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKd 7.27 7.29 7.3 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.02 8.02 8.02 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 8.19 8.21 8.22 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.35 6.43 6.52 ChEMBL