acompound

Showing entry for Guvacine

General Compound Information
BXGC Id	BXGC0044598
Compound Name	Guvacine
Structure
Formula	C6H9NO2
InchiKey	QTDZOWFRBNTPQR-UHFFFAOYSA-N
SMILES	OC(=O)C1=CCCNC1
Inchi	InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
IUPAC	1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate
Molecular Weight	127.06
Pubchem Id	3532
Chembl Id	CHEMBL76768

Targets of Information Source

DrugBank

DB08848

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
Q9NSD5	BXGT021204	Sodium- and chloride-dependent GABA transporter 2	reviewed	Transporter	SLC6A13	experimental	inhibitor
P30531	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	experimental	inhibitor
P48066	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	experimental	inhibitor
P48065	BXGT010617	Sodium- and chloride-dependent betaine transporter	reviewed	Transporter	SLC6A12	experimental	inhibitor

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

90787

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	BXGT008966	Corticotropin-releasing factor-binding protein	reviewed	Signaling	CRHBP	-	-	-	>53000
reviewed	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	-	119000	-	-
reviewed	BXGT009559	Sodium- and chloride-dependent GABA transporter 2	reviewed		Slc6a13	-	58000	-	-
reviewed	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	-	14000	-	-
reviewed	BXGT010617	Sodium- and chloride-dependent betaine transporter	reviewed	Transporter	SLC6A12	-	1870000	-	-
reviewed	BXGT009562	Sodium- and chloride-dependent GABA transporter 2	reviewed		Slc6a13	-	72400	-	-
reviewed	BXGT009563	Sodium- and chloride-dependent GABA transporter 3	reviewed		Slc6a11	-	114800	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	20900	-	-
reviewed	BXGT009564	Sodium- and chloride-dependent betaine transporter	reviewed		Slc6a12	-	>1000000	-	-
reviewed	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	-	110000	-	-
reviewed	BXGT021204	Sodium- and chloride-dependent GABA transporter 2	reviewed	Transporter	SLC6A13	-	66000	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2770	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2590	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	1760	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2900	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2790	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2650	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	1910	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2560	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	1680	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	1850	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2660	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	1870	-	-
reviewed	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	2260	-	-
reviewed	BXGT009561	Sodium- and chloride-dependent GABA transporter 1	reviewed		Slc6a1	-	14000	-	-

CHEMBL

CHEMBL76768

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
P31651	BXGT009564	Sodium- and chloride-dependent betaine transporter	reviewed	-	Slc6a12	IC50	'='	489778	nM
P31646	BXGT009559	Sodium- and chloride-dependent GABA transporter 2	reviewed	-	Slc6a13	IC50	'='	58000	nM
P50554	BXGT010809	4-aminobutyrate aminotransferase, mitochondrial	reviewed	-	Abat	Inhibition	'='	7	%
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
Q9NSD5	BXGT021204	Sodium- and chloride-dependent GABA transporter 2	reviewed	Transporter	SLC6A13	IC50	'='	66000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	5972	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2770	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	1680	nM
P30531	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	IC50	'='	14000	nM
P48066	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	IC50	'='	119000	nM
P48065	BXGT010617	Sodium- and chloride-dependent betaine transporter	reviewed	Transporter	SLC6A12	IC50	'='	1870000	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	1760	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	1910	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2650	nM
P31648	BXGT009561	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	20900	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
P18088	BXGT008378	Glutamate decarboxylase 1	reviewed	-	Gad1	Inhibition	'='	0	%
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	39810	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2790	nM
Q9ES14	BXGT020314	Gamma-aminobutyric acid receptor subunit epsilon	reviewed	-	Gabre	Inhibition	'='	27	%
Q91ZM7	BXGT019327	GABA theta subunit	unreviewed	-	Gabrq	Inhibition	'='	27	%
P63138	BXGT011502	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	-	Gabrb2	Inhibition	'='	27	%
P63079	BXGT011491	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	-	Gabrb3	Inhibition	'='	27	%
P62813	BXGT011460	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	-	Gabra1	Inhibition	'='	27	%
P30191	BXGT009410	Gamma-aminobutyric acid receptor subunit alpha-6	reviewed	-	Gabra6	Inhibition	'='	27	%
P28473	BXGT009261	Gamma-aminobutyric acid receptor subunit gamma-3	reviewed	-	Gabrg3	Inhibition	'='	27	%
P28471	BXGT009259	Gamma-aminobutyric acid receptor subunit alpha-4	reviewed	-	Gabra4	Inhibition	'='	27	%
P23576	BXGT008885	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	-	Gabra2	Inhibition	'='	27	%
P23574	BXGT008884	Gamma-aminobutyric acid receptor subunit gamma-1	reviewed	-	Gabrg1	Inhibition	'='	27	%
P20236	BXGT008551	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	-	Gabra3	Inhibition	'='	27	%
P19969	BXGT008536	Gamma-aminobutyric acid receptor subunit alpha-5	reviewed	-	Gabra5	Inhibition	'='	27	%
P18508	BXGT008412	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	-	Gabrg2	Inhibition	'='	27	%
P18506	BXGT008410	Gamma-aminobutyric acid receptor subunit delta	reviewed	-	Gabrd	Inhibition	'='	27	%
P15431	BXGT008122	Gamma-aminobutyric acid receptor subunit beta-1	reviewed	-	Gabrb1	Inhibition	'='	27	%
O09028	BXGT004049	Gamma-aminobutyric acid receptor subunit pi	reviewed	-	Gabrp	Inhibition	'='	27	%
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2260	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	1870	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2900	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2660	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2560	nM
P48066	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	IC50	'='	110000	nM
P31649	BXGT009562	Sodium- and chloride-dependent GABA transporter 2	reviewed	-	Slc6a13	IC50	'='	25703	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	2590	nM
P31648	BXGT009561	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	13489	nM
P23978	BXGT008937	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	1850	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	37933	nM
P31650	BXGT009563	Sodium- and chloride-dependent GABA transporter 3	reviewed	-	Slc6a11	IC50	'='	25703	nM
P31649	BXGT009562	Sodium- and chloride-dependent GABA transporter 2	reviewed	-	Slc6a13	IC50	'='	72400	nM
P31648	BXGT009561	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	14000	nM
P31648	BXGT009561	Sodium- and chloride-dependent GABA transporter 1	reviewed	-	Slc6a1	IC50	'='	12589	nM
P31650	BXGT009563	Sodium- and chloride-dependent GABA transporter 3	reviewed	-	Slc6a11	IC50	'='	114800	nM
P15289	BXGT008102	Arylsulfatase A	reviewed	Enzyme	ARSA	Potency	-	13	nM
Q9ES14	BXGT020314	Gamma-aminobutyric acid receptor subunit epsilon	reviewed	-	Gabre	Inhibition	-	-	-
Q91ZM7	BXGT019327	GABA theta subunit	unreviewed	-	Gabrq	Inhibition	-	-	-
P63138	BXGT011502	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	-	Gabrb2	Inhibition	-	-	-
P63079	BXGT011491	Gamma-aminobutyric acid receptor subunit beta-3	reviewed	-	Gabrb3	Inhibition	-	-	-
P62813	BXGT011460	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	-	Gabra1	Inhibition	-	-	-
P30191	BXGT009410	Gamma-aminobutyric acid receptor subunit alpha-6	reviewed	-	Gabra6	Inhibition	-	-	-
P28473	BXGT009261	Gamma-aminobutyric acid receptor subunit gamma-3	reviewed	-	Gabrg3	Inhibition	-	-	-
P28471	BXGT009259	Gamma-aminobutyric acid receptor subunit alpha-4	reviewed	-	Gabra4	Inhibition	-	-	-
P23576	BXGT008885	Gamma-aminobutyric acid receptor subunit alpha-2	reviewed	-	Gabra2	Inhibition	-	-	-
P23574	BXGT008884	Gamma-aminobutyric acid receptor subunit gamma-1	reviewed	-	Gabrg1	Inhibition	-	-	-
P20236	BXGT008551	Gamma-aminobutyric acid receptor subunit alpha-3	reviewed	-	Gabra3	Inhibition	-	-	-
P19969	BXGT008536	Gamma-aminobutyric acid receptor subunit alpha-5	reviewed	-	Gabra5	Inhibition	-	-	-
P18508	BXGT008412	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	-	Gabrg2	Inhibition	-	-	-
P18506	BXGT008410	Gamma-aminobutyric acid receptor subunit delta	reviewed	-	Gabrd	Inhibition	-	-	-
P15431	BXGT008122	Gamma-aminobutyric acid receptor subunit beta-1	reviewed	-	Gabrb1	Inhibition	-	-	-
O09028	BXGT004049	Gamma-aminobutyric acid receptor subunit pi	reviewed	-	Gabrp	Inhibition	-	-	-
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	1458	nM
P31651	BXGT009564	Sodium- and chloride-dependent betaine transporter	reviewed	-	Slc6a12	IC50	'>'	1000000	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	891	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05157	Garcinia morella	Garcinia morella	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}