CHEMBL4650627


SMILES CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21
InChIKey AZYYVQIBCPFAIG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 28
Molecular weight (Da) 1237.6

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 6.78 6.78 6.78 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.35 8.35 8.35 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.81 6.81 6.81 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 9.1 9.1 9.1 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 7.9 8.26 8.72 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 7.58 7.58 7.58 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.86 6.86 6.86 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.45 6.85 7.24 ChEMBL