acetylcholine


SMILES CC(=O)OCC[N+](C)(C)C
InChIKey OIPILFWXSMYKGL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 146.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Database connections

Structure pdb 9EJZ 7TRS 7T90 7T8X 7T94 7T96
Ligand site mutations M1 M2 M3 M4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.3 4.6 4.9 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.3 5.4 6.5 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.5 4.95 5.4 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 4.5 5.05 5.6 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.1 6.1 6.1 Guide to Pharmacology
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 6.4 6.4 6.4 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 Guide to Pharmacology
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.6 5.6 5.6 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.01 5.01 5.01 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.15 5.21 5.33 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.41 6.51 6.8 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 4.76 4.76 4.76 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.64 4.86 5.24 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.19 8.19 8.19 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.07 5.07 5.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pEC50 6.1 7.45 8.92 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pEC50 6.3 7.24 8.49 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pEC50 5.72 6.92 8.15 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 4.0 6.41 8.96 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.87 6.87 6.87 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pEC50 8.18 8.18 8.18 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pEC50 8.21 8.21 8.21 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 8.21 8.21 8.21 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pEC50 6.87 7.46 8.0 ChEMBL
GAL3 GALR3 Human Galanin A pIC50 5.78 6.0 6.21 ChEMBL