acompound

Showing entry for Icosapent

General Compound Information
BXGC Id	BXGC0014782
Compound Name	Icosapent
Structure
Formula	C20H30O2
InchiKey	JAZBEHYOTPTENJ-JLNKQSITSA-N
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
Inchi	InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
IUPAC	(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
Molecular Weight	302.22
Pubchem Id	446284
Chembl Id	CHEMBL460026

Targets of Information Source

DrugBank

DB00159

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	approved; nutraceutical	inhibitor
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	approved; nutraceutical	inhibitor
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	approved; nutraceutical	agonist
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	approved; nutraceutical	agonist
O60427	BXGT004875	Acyl-CoA (8-3)-desaturase	reviewed	-	FADS1	approved; nutraceutical	agonist
O60488	BXGT004878	Long-chain-fatty-acid--CoA ligase 4	reviewed	Enzyme	ACSL4	approved; nutraceutical	inducer
O14842	BXGT004106	Free fatty acid receptor 1	reviewed	G-protein coupled receptor	FFAR1	approved; nutraceutical	agonist
P32418	BXGT009635	Sodium/calcium exchanger 1	reviewed	Transporter	SLC8A1	approved; nutraceutical	inhibitor
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	approved; nutraceutical	inducer
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	approved; nutraceutical	-

PDB

EPA

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	PTGS1	-	-	-	-	-
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	PPARD	Nuclear receptor	-	4000	-	-
Q05769	BXGT012834	Prostaglandin G/H synthase 2	reviewed	Ptgs2	-	-	-	-	-
E9NSU2	BXGT003184	Terminal olefin-forming fatty acid decarboxylase	unreviewed		-	-	-	-	-

Binding DB

50242349

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	BXGT018813	Oxoeicosanoid receptor 1	reviewed	G-protein coupled receptor	OXER1	6000	-	-	-
reviewed	BXGT005645	Trypsin	reviewed		-	-	>200000	-	-
reviewed	BXGT007950	Tissue factor	reviewed	Receptor	F3	-	78000	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	7100	-	-
reviewed	BXGT004924	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	13000	-	-
reviewed	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	53200	-	-
reviewed	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	-	-	2000	-
reviewed	BXGT018813	Oxoeicosanoid receptor 1	reviewed	G-protein coupled receptor	OXER1	-	2000	-	-

CHEMBL

CHEMBL460026

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
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23715	nM
Q8TDS5	BXGT018813	Oxoeicosanoid receptor 1	reviewed	G-protein coupled receptor	OXER1	IC50	'='	2000	nM
Q12772	BXGT013262	Sterol regulatory element-binding protein 2	reviewed	-	SREBF2	Inhibition	-	-	-
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	50118	nM
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'='	7100	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	5011	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	89125	nM
P13726	BXGT007950	Tissue factor	reviewed	Receptor	F3	IC50	'='	78000	nM
P08709	BXGT006818	Coagulation factor VII	reviewed	Enzyme	F7	IC50	'='	78000	nM
P00761	BXGT005645	Trypsin	reviewed	-		IC50	'>'	200000	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	11220	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	8436	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	79432	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	IC50	'='	1100	nM
Q9UGP5	BXGT021689	DNA polymerase lambda	reviewed	Enzyme	POLL	Inhibition	-	-	-
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Activity	'='	30	%
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	70794	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Activity	'='	137	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	53200	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Inhibition	-	-	-
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Kd	'='	2000	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	31622	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	IC50	'='	4000	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	IC50	'='	1600	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	33498	nM
O62664	BXGT004924	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	13000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF03527	Alpinia oxyphylla	Alpinia oxyphylla	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}