Details of the Drug-Related molecule(s) Interaction Atlas

BML3-C01 Drug Info

Adrenic acid; TWSWSIQAPQLDBP-DOFZRALJSA-N; (7Z,10Z,13Z,16Z)-Docosa-7,10,13,16-tetraenoic acid; 28874-58-0; 7,10,13,16-Docosatetraenoate; 7,10,13,16-Docosatetraenoic acid; 7,10,13,16-Docosatetraenoic acid, (all-Z)-; 7,10,13,16-docosatetraenoic acid, (7Z,10Z,13Z,16Z)-; 7Z,10Z,13Z,16Z-Docosatetraenoic acid; AC1NUZMR; Cis-7,10,13,16-docosatetraenoic acid; BSPBio_001499; CHEBI:53487; CHEMBL1491103; HMS1791K21; HMS1989K21; SCHEMBL19452; all-cis-7,10,13,16-Docosatetraenoic acid; all-cis-docosa-7,10,13,16-tetraenoic acid; cis-7,10,13,16-Docosatetraenoic acid

Cross-matching ID

PubChem CID

5497181

ChEBI ID

CHEBI:53487

CAS Number

CAS 28874-58-0

TTD Drug ID

DMER2WS

INTEDE Drug ID

DR1993

General Information of Drug (ID: DMER2WS)

Molecule-Related Drug Atlas

Molecule Type:

DME

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Investigative Drug(s)

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Drug(s) Metabolized By Prostaglandin G/H synthase 1 (COX-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[2]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[3]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[2]
Diazepam	DM08E9O	Alcohol withdrawal		Approved	[2]
Dapsone	DM4LT8A	Acne vulgaris	ED80	Approved	[2]
Ifosfamide	DMCT3I8	Adult central nervous system germ cell tumor		Approved	[2]
Nateglinide	DMLK2QH	Diabetic complication	5A2Y	Approved	[2]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[2]
Ketobemidone	DMM3L6Z	Pain	MG30-MG3Z	Approved	[2]
Irbesartan	DMTP1DC	Diabetic kidney disease	GB61.Z	Approved	[2]
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Drug(s) Metabolized By Prostaglandin G/H synthase 2 (COX-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[3]
Dapsone	DM4LT8A	Acne vulgaris	ED80	Approved	[2]
Eicosapentaenoic acid/docosa-hexaenoic acid	DMMUCG4	Hypertriglyceridemia	5C80.1	Approved	[1]
Epanova	DMHEAGL	Hypertriglyceridemia	5C80.1	Approved	[4]
Gamma-Homolinolenic acid	DMSXKYG	Malnutrition	5B50-5B71	Approved	[1]
Gamolenic acid	DMQN30Z	Allergy	4A80-4A85	Approved	[1]
Omega-6-FA	DMBWY8V	N. A.	N. A.	Phase 3	[5]
Arachidonic Acid	DMUOQZD	Discovery agent	N.A.	Investigative	[6]
alpha-linolenic acid	DMY64HE	Discovery agent	N.A.	Investigative	[1]
Eicosadienoic acid	DMVJK9W	N. A.	N. A.	Investigative	[1]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	DE492CE	PGH2_HUMAN	Substrate	[1]
Prostaglandin G/H synthase 1 (COX-1)	DE073H6	PGH1_HUMAN	Substrate	[1]

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References

1	Divergent cyclooxygenase responses to fatty acid structure and peroxide level in fish and mammalian prostaglandin H synthases. FASEB J. 2006 Jun;20(8):1097-108.
2	Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
3	Peroxidative free radical formation and O-demethylation of etoposide(VP-16) and teniposide(VM-26). Biochem Biophys Res Commun. 1986 Feb 26;135(1):215-20.
4	Structural basis of fatty acid substrate binding to cyclooxygenase-2. J Biol Chem. 2010 Jul 16;285(29):22152-63.
5	Health implications of high dietary omega-6 polyunsaturated Fatty acids. J Nutr Metab. 2012;2012:539426.
6	PharmGKB summary: very important pharmacogene information for PTGS2. Pharmacogenet Genomics. 2011 Sep;21(9):607-13.