GPCRdb

acetylcholine

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

Database connections

Guide To Pharmacology DrugBank Drug Central ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	7T96 7T8X 7T90 7T94 7TRS
Ligand site mutations	M₁ M₂ M₃ M₄

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

CB₁	CNR1	Human	Cannabinoid	A	pKi	6.00	6.00	6.00	PDSP Ki database
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	4.30	4.60	4.90	Guide to Pharmacology
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	pKi	5.00	5.00	5.00	Guide to Pharmacology
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	4.64	4.86	5.24	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKd	4.76	4.76	4.76	ChEMBL
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	pKi	5.00	5.27	5.53	PDSP Ki database
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pKi	8.24	8.36	8.47	PDSP Ki database
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	4.30	5.40	6.50	Guide to Pharmacology
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKd	8.80	8.80	8.80	Guide to Pharmacology
M₂	ACM2	Rat	Acetylcholine (muscarinic)	A	pKi	6.40	6.40	6.40	Guide to Pharmacology
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.46	7.45	9.41	PDSP Ki database
M₂	ACM2	Rat	Acetylcholine (muscarinic)	A	pKi	6.15	6.26	6.37	PDSP Ki database
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	8.19	8.19	8.19	Drug Central
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pKi	6.41	6.51	6.80	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	4.50	4.95	5.40	Guide to Pharmacology
M₃	ACM3	Rat	Acetylcholine (muscarinic)	A	pKi	5.60	5.60	5.60	Guide to Pharmacology
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	5.15	5.21	5.33	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pKi	5.38	6.86	8.33	PDSP Ki database
M₃	ACM3	Rat	Acetylcholine (muscarinic)	A	pKi	5.62	5.62	5.62	PDSP Ki database
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pKi	4.50	5.05	5.60	Guide to Pharmacology

Showing 1 to 20 of 27 entries

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Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

GAL₃	GALR3	Human	Galanin	A	pIC50	5.78	6.00	6.21	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pEC50	4.00	6.41	8.96	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	6.87	6.87	6.87	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pEC50	8.21	8.21	8.21	Drug Central
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pEC50	5.72	6.92	8.15	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pEC50	6.30	7.24	8.49	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pEC50	8.18	8.18	8.18	Drug Central
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pEC50	6.87	7.46	8.00	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pEC50	6.10	7.45	8.92	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pEC50	8.21	8.21	8.21	Drug Central

Showing 1 to 10 of 10 entries

acetylcholine

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Endogenous
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 5

Phase III 0

Approved Yes

Database connections

Guide To Pharmacology DrugBank Drug Central ChEMBL_compound_ids PubChem GPCRdb
Structure pdb	7T96 7T8X 7T90 7T94 7TRS
Ligand site mutations	M₁ M₂ M₃ M₄

Sankey plot

Drug Information

Search:

Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

ACM3	M₃ receptor	Acetylcholine receptors (muscarinic)	Aminergic receptors	Class A	Diseases of the circulatory system, unspecified	BE2Z	S01E	0.008	2	Yes
ACM3	M₃ receptor	Acetylcholine receptors (muscarinic)	Aminergic receptors	Class A	Diseases of the visual system, unspecified	9E1Z	S01E	0.259	4	Yes

Showing 1 to 2 of 2 entries

This ligand is endogenous.