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
Endogenous/Surrogate Endogenous
Approved drug Yes

Database connections

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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 5.3 5.85 6.4 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 7.18 7.18 7.18 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.0 7.17 8.55 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.86 7.55 8.97 PDSP Ki database
D2 DRD2 Dog Dopamine A pKi 8.77 8.77 8.77 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 6.92 6.92 6.92 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.29 5.29 5.29 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 6.16 6.16 6.16 ChEMBL