CHEMBL4116470


SMILES CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1
InChIKey DJOCICQNBMTMNG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 31
Molecular weight (Da) 1357.7

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 7.64 7.64 7.64 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKd 9.17 9.17 9.17 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.33 9.33 9.33 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.81 7.81 7.81 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.98 9.41 9.97 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 9.04 9.48 9.7 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.82 8.82 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 4.73 5.94 7.78 ChEMBL