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

General Information of Drug (ID: DMAY7H4)

Drug Name

Valdecoxib Drug Info

Synonyms

Bextra; COX; Kudeq; Valdyn; Pfizer brand of valdecoxib; Valdecoxib [USAN]; SC 65872; ND-0214; SC-65872; YM-974; Valdecoxib (USAN/INN); P-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-(9CI); 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide; 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonamide; 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide; 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide; 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Osteoarthritis	FA00-FA05	Approved	[1]

Therapeutic Class

Antiinflammatory Agents

Cross-matching ID

PubChem CID: 119607
ChEBI ID: CHEBI:63634
CAS Number: CAS 181695-72-7
TTD Drug ID: DMAY7H4
VARIDT Drug ID: DR01196
INTEDE Drug ID: DR1666

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_HUMAN	Inhibitor	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Approved	[3]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Approved	[4]
UDP-glucuronosyltransferase 1A9 (UGT1A9)	DE85D2P	UD19_HUMAN	Approved	[5]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	11.76	5.931	6.164	9.423
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	11.692	6.58	4.984	9.089

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Osteoarthritis

ICD Disease Classification

FA00-FA05

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Cytochrome P450 2C9 (CYP2C9)	DME	CYP2C9	1.90E-01	-9.81E-03	-5.96E-02
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	1.04E-02	6.29E-02	3.54E-01

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2894).
2	Biochemical mechanisms of New Molecular Entities (NMEs) approved by United States FDA during 2001-2004: mechanisms leading to optimal efficacy and ... Curr Top Med Chem. 2006;6(5):461-78.
3	Simultaneous assessment of drug interactions with low- and high-extraction opioids: application to parecoxib effects on the pharmacokinetics and pharmacodynamics of fentanyl and alfentanil. Anesthesiology. 2003 Apr;98(4):853-61.
4	Genetically based impairment in CYP2C8- and CYP2C9-dependent NSAID metabolism as a risk factor for gastrointestinal bleeding: is a combination of pharmacogenomics and metabolomics required to improve personalized medicine? Expert Opin Drug Metab Toxicol. 2009 Jun;5(6):607-20.
5	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.