CHEMBL271108


SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C
InChIKey WHKGYJCRLQITBW-SWJBRDQASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 22
Molecular weight (Da) 899.4

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 Rat Acetylcholine (muscarinic) A pKi 7.76 7.76 7.76 ChEMBL
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 7.99 7.99 7.99 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.34 8.34 8.34 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 7.76 7.76 7.76 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 7.99 7.99 7.99 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database