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

General Information of Drug (ID: DM3P5DA)

Drug Name
Rofecoxib Drug Info
Synonyms
Ceoxx; Refecoxib; Vioxx; Cahill May Roberts brand of rofecoxib; MSD brand of rofecoxib; Merck Frosst brandof rofecoxib; Merck brand of rofecoxib; Vioxx Dolor; MK 0966; MK 0996; MK 966; MK0966; Ceeoxx (TN); Ceoxx (TN); KS-1107; MK-0966; MK-966; Merck Sharp & Dhome brand of rofecoxib; Vioxx (TN); Vioxx (trademark); Rofecoxib (JAN/USAN/INN); 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one; 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone; 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone; 4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone; 4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one; 4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone; 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone; 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
Indication
Disease Entry ICD 11 Status REF
Osteoarthritis FA00-FA05 Approved [1]
Therapeutic Class
Antiinflammatory Agents
Cross-matching ID
PubChem CID
5090
ChEBI ID
CHEBI:8887
CAS Number
CAS 162011-90-7
TTD Drug ID
DM3P5DA
VARIDT Drug ID
DR00753
INTEDE Drug ID
DR1433

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]

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]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Approved [5]
Cytochrome P450 2C8 (CYP2C8) DES5XRU CP2C8_HUMAN Approved [6]
Prostaglandin G/H synthase 1 (COX-1) DE073H6 PGH1_HUMAN Approved [3]

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 2C8 (CYP2C8) DME CYP2C8 9.791 3.744 3.413 1.609
Cytochrome P450 1A2 (CYP1A2) DME CYP1A2 10.036 5.779 6.508 6.481
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
Prostaglandin G/H synthase 1 (COX-1) DME PTGS1 6.09 7.747 6.04 7.023
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 2C8 (CYP2C8) DME CYP2C8 1.82E-04 -1.35E-01 -5.84E-01
Cytochrome P450 1A2 (CYP1A2) DME CYP1A2 7.36E-01 1.62E-02 1.08E-01
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
Prostaglandin G/H synthase 1 (COX-1) DME PTGS1 3.97E-03 1.56E-01 4.33E-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: 2893).
2 Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
3 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.
4 Impact of CYP2C9 genotype on pharmacokinetics: are all cyclooxygenase inhibitors the same? Drug Metab Dispos. 2005 Nov;33(11):1567-75.
5 Rofecoxib is a potent inhibitor of cytochrome P450 1A2: studies with tizanidine and caffeine in healthy subjects. Br J Clin Pharmacol. 2006 Sep;62(3):345-57.
6 Role of cytochrome P450 2C8 in drug metabolism and interactions. Pharmacol Rev. 2016 Jan;68(1):168-241.