CHEMBL4802414


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1
InChIKey PHRZGNXUUFTVSE-RELWKKBWSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 25
Molecular weight (Da) 1116.5

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 8.0 8.0 8.0 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.38 9.38 9.38 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.43 7.43 7.43 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 8.35 8.38 8.41 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.0 9.08 9.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database