bethanechol


SMILES CC(C[N+](C)(C)C)OC(=O)N
InChIKey NZUPCNDJBJXXRF-UHFFFAOYSA-O

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 161.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.2 4.2 4.2 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 3.7 3.7 3.7 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.4 8.4 8.4 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.38 8.38 8.38 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.4 8.4 8.4 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.4 8.4 8.4 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 4.0 4.0 4.0 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 Q8VH27 Guinea pig Acetylcholine (muscarinic) A pEC50 8.22 8.22 8.22 Drug Central
M2 Q8VH27 Guinea pig Acetylcholine (muscarinic) A pEC50 5.85 5.92 6.0 ChEMBL