GPCRdb

xanomeline

Agent/drug
Bioactivity

xanomeline

SMILES	CCCCCCOc1nsnc1C1=CCCN(C)C1
InChIKey	JOLJIIDDOBNFHW-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	5
Hydrogen bond donors	0
Rotatable bonds	7
Molecular weight (Da)	281.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids Drug Central DrugBank PubChem GPCRdb
Structure pdb	8FX5
Ligand site mutations	M₁ M₄

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1B	ADA1B	Human	Adrenoceptors	A	pKi	5.80	5.80	5.80	PDSP Ki database
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.24	8.24	8.24	Drug Central
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.20	7.20	7.20	Guide to Pharmacology
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	7.20	7.20	7.20	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	8.14	8.14	8.14	Drug Central
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.30	7.30	7.30	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	8.14	8.14	8.14	Drug Central
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	7.30	7.30	7.30	Guide to Pharmacology
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	8.20	8.20	8.20	Guide to Pharmacology
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	8.09	8.09	8.09	Drug Central
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	8.20	8.20	8.20	PDSP Ki database
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.60	5.60	5.60	Guide to Pharmacology
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	5.60	5.60	5.60	PDSP Ki database
5-HT_1E	5HT1E	Human	5-Hydroxytryptamine	A	pKi	8.25	8.25	8.25	Drug Central
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	6.50	6.50	6.50	Guide to Pharmacology
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	6.50	6.50	6.50	PDSP Ki database
5-HT_1F	5HT1F	Human	5-Hydroxytryptamine	A	pKi	8.19	8.19	8.19	Drug Central
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.90	6.90	6.90	Guide to Pharmacology
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	6.90	6.90	6.90	PDSP Ki database
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.16	8.16	8.16	Drug Central

Showing 1 to 20 of 57 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

M₁	ACM1	Mouse	Acetylcholine (muscarinic)	A	pEC50	5.24	5.24	5.24	ChEMBL
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	pIC50	8.00	8.24	8.70	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pEC50	4.79	7.00	8.80	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	5.31	6.55	7.74	ChEMBL
M₁	ACM1	Mouse	Acetylcholine (muscarinic)	A	pEC50	8.28	8.28	8.28	Drug Central
M₁	ACM1	Rat	Acetylcholine (muscarinic)	A	pIC50	8.06	8.06	8.06	Drug Central
M₂	ACM2	Rat	Acetylcholine (muscarinic)	A	pIC50	7.80	7.80	7.80	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pEC50	6.11	6.48	6.92	ChEMBL
M₂	ACM2	Human	Acetylcholine (muscarinic)	A	pIC50	6.50	7.20	7.90	ChEMBL
M₂	ACM2	Rat	Acetylcholine (muscarinic)	A	pIC50	8.11	8.11	8.11	Drug Central
M₃	ACM3	Mouse	Acetylcholine (muscarinic)	A	pEC50	4.96	4.96	4.96	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pEC50	4.60	6.16	6.96	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pIC50	7.60	7.60	7.60	ChEMBL
M₄	ACM4	Human	Acetylcholine (muscarinic)	A	pEC50	5.20	7.24	8.22	ChEMBL
M₅	ACM5	Human	Acetylcholine (muscarinic)	A	pEC50	4.90	6.14	6.85	ChEMBL

Showing 1 to 15 of 15 entries

xanomeline

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 0

Phase II 0

Phase III 0

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids Drug Central DrugBank PubChem GPCRdb
Structure pdb	8FX5
Ligand site mutations	M₁ M₄

Sankey plot

Drug Information

Search:

Target					Disease				Phase

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

ACM1	M₁ receptor	Acetylcholine receptors (muscarinic)	Aminergic receptors	Class A	Schizophrenia, episode unspecified	6A20.Z		0.526	4	Yes
ACM4	M₄ receptor	Acetylcholine receptors (muscarinic)	Aminergic receptors	Class A	Schizophrenia, episode unspecified	6A20.Z		0.413	4	Yes

Showing 1 to 2 of 2 entries