acompound

Showing entry for Myosmine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001614
Compound Name	Myosmine
Structure
Formula	C9H10N2
InchiKey	DPNGWXJMIILTBS-UHFFFAOYSA-N
SMILES	C1CN=C(C1)C1=CN=CC=C1
Inchi	InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2
IUPAC	3-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
Molecular Weight	146.19
Pubchem Id	442649
Chembl Id	CHEMBL423429

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

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	187000	-	-
reviewed	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed		Chrna4	3300	-	-	-

CHEMBL

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
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	'='	12589	nM
A9XFY4	BXGT001818	Nicotinic acetylcholine receptor alpha 5 subunit	unreviewed	-	nAChRalpha5	Ki	'>'	1000000	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	12589	nM
Q7YWJ9	BXGT017236	Carboxylic ester hydrolase	unreviewed	-	Ache	IC50	'='	6800000	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	199	nM
H6TY12	BXGT003609	Nicotinic acetylcholine receptor alpha8 subunit	unreviewed	-		IC50	'>'	10000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
H6TY12	BXGT003609	Nicotinic acetylcholine receptor alpha8 subunit	unreviewed	-		Inhibition	'='	27	%
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	3300	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	3300	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	7943	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	187000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00041	Papaya	Carica papaya	Fruits
BXGF00821	Nuts		Nuts

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}