acompound

Showing entry for Muscarine

General Compound Information
BXGC Id	BXGC0039319
Compound Name	Muscarine
Structure
Formula	C9H20NO2
InchiKey	UQOFGTXDASPNLL-XHNCKOQMSA-N
SMILES	O[C@@H]1C[C@H](O[C@H]1C)C[N+](C)(C)C
Inchi	InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
IUPAC	[(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium
Molecular Weight	174.15
Pubchem Id	9308
Chembl Id	CHEMBL12587

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

50006243

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	15000	-	-	-
reviewed	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed		Chrm3	21600	-	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	490	-	-	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	-	5680	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	-	12	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	-	449	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	-	3900	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	-	490	-	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	27	-	-	-
reviewed	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed		Chrm4	1400	-	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	-	3900	-	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	-	-	-	219
reviewed	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	23	-	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	25	-	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	72	-	-	-
reviewed	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	1400	-	-	-
reviewed	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	56	-	-	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	5680	-	-	-
reviewed	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	-	-	-	5300
reviewed	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	-	-	-	1000
reviewed	BXGT006840	Muscarinic acetylcholine receptor M5	reviewed	G-protein coupled receptor	CHRM5	-	-	-	1300
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	-	-	24547	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	-	-	19953	-
reviewed	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	12	-	-	-
reviewed	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed		Chrm4	-	470	-	-
reviewed	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	75	-	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	75	-	-	-
reviewed	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed		Chrm3	-	-	-	130
reviewed	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	28000	-	-	-

CHEMBL

CHEMBL12587

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Ki	'='	25	nM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Relative efficacy	'='	1	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	#NAME?	'='	6	-
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	Ki	'='	23	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	12	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	75	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	EC50	'='	130	nM
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	pD2	'='	6	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	Inhibition	'='	2	%
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	92	nM
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Intrinsic activity	'='	1	-
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	#NAME?	'='	5	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Relative affinity	'='	1	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Receptor occupied	'='	1	%
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Receptor occupied	'='	7	%
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	Ki	'='	28000	nM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Ki	'='	489	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	K app	'='	2	uM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	K app ratio	'='	0	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	K app ratio	'='	0	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	#NAME?	'='	4	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	Inhibition	'='	15	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	K app	'='	28	uM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Inhibition	'='	3	%
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Inhibition	'='	3	%
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Inhibition	'='	3	%
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Inhibition	'='	3	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Inhibition	'='	3	%
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	Inhibition	'='	1	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Efficacy	'='	100	%
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	Ki	'='	18197	nM
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Efficiency	'='	100	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	5680	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	pD2	'='	6	-
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	Inhibition	'='	28	%
P20309	BXGT008562	Muscarinic acetylcholine receptor M3	reviewed	G-protein coupled receptor	CHRM3	Ki	'='	-	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	IC50	'='	3900	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Inhibition	'='	15	%
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Intrinsic activity	'='	1	-
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	ED50	'='	0	mg.kg-1
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ratio	'='	530	-
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Ratio	'='	530	-
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ratio	'='	530	-
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Ratio	'='	530	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ratio	'='	530	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	27	nM
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	PD2	'='	5	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	ED50	'='	0	mg.kg-1
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	#NAME?	'='	4	-
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Relative affinity	'='	1	-
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Receptor occupied	'='	6	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ratio	'='	473	-
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	IC50	'='	12	nM
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	IC50	'='	12	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	IC50	'='	12	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	IC50	'='	12	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	IC50	'='	12	nM
P11229	BXGT007676	Muscarinic acetylcholine receptor M1	reviewed	G-protein coupled receptor	CHRM1	Ki	'='	56	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	PD2	'='	6	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	#NAME?	'='	4	-
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Receptor occupied	'='	1	%
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	Relative efficacy	'='	1	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	pD2	'='	5	-
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Efficiency	'='	100	%
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Efficiency	'='	100	%
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Efficiency	'='	100	%
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Efficiency	'='	100	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Efficiency	'='	100	%
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	pD2	'='	7	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	ED50	'='	0	mg.kg-1
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Inhibition	'='	3	%
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Ki	'='	75	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	IC50	'='	3900	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	IC50	'='	490	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ki	'='	1400	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	IC50	'='	470	nM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	IC50	'='	449	nM
P15289	BXGT008102	Arylsulfatase A	reviewed	Enzyme	ARSA	Potency	-	16944	nM
Q8VH26	BXGT018927	Muscarinic acetylcholine receptor	unreviewed	-	GPM3	PD2	'='	7	-
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	8	nM
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Ki	'='	8	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ki	'='	8	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Ki	'='	8	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	8	nM
P08173	BXGT006738	Muscarinic acetylcholine receptor M4	reviewed	G-protein coupled receptor	CHRM4	Ki	'='	1400	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	ED50	'='	0	mg.kg-1
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	14	nM
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Ki	'='	14	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ki	'='	14	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Ki	'='	14	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	14	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	4400	nM
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Ki	'='	4400	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ki	'='	4400	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Ki	'='	4400	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	4400	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	IC50	'='	5680	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	23778	nM
P08172	BXGT006737	Muscarinic acetylcholine receptor M2	reviewed	G-protein coupled receptor	CHRM2	Ki	'='	72	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	EC50	'='	219	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Inhibition	'='	28	%
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	15848	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	7943	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Potency	'='	2511	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}