KEGG   DRUG: D00567Help
Entry
D00567                      Drug                                   

Name
Celecoxib (JAN/USAN/INN);
Celebrex (TN)
Product
CELEBREX (A-S Medication Solutions LLC), CELEBREX (Aidarex Pharmaceuticals LLC), CELEBREX (Aphena Pharma Solutions - Tennessee), CELEBREX (Bryant Ranch Prepack), CELEBREX (Bryant Ranch Prepack), CELEBREX (Bryant Ranch Prepack), CELEBREX (Cardinal Health), CELEBREX (Cardinal Health), CELEBREX (Clinical Solutions Wholesale), CELEBREX (Dispensing Solutions), CELEBREX (G.D. Searle LLC Division of Pfizer), CELEBREX (H.J. Harkins Company), CELEBREX (Keltman Pharmaceuticals), CELEBREX (Lake Erie Medical & Surgical Supply DBA Quality Care Products LLC), CELEBREX (Lake Erie Medical & Surgical Supply DBA Quality Care Products LLC), CELEBREX (PD-Rx Pharmaceuticals), CELEBREX (PD-Rx Pharmaceuticals), CELEBREX (Physicians Total Care), CELEBREX (Proficient Rx LP), CELEBREX (REMEDYREPACK), CELEBREX (REMEDYREPACK), CELEBREX (REMEDYREPACK), CELEBREX (REMEDYREPACK), CELEBREX (REMEDYREPACK), CELEBREX (REMEDYREPACK), CELEBREX (Rebel Distributors Corp.), CELEBREX (STAT RX USA LLC), CELEBREX (STAT Rx USA LLC), CELEBREX (Unit Dose Services), CELEBREX (Unit Dose Services)
Formula
C17H14F3N3O2S
Exact mass
381.0759
Mol weight
381.3722
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-inflammatory and analgesic [cyclooxygenase-2 inhibitor] [DS:H00445 H00630]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Target
cyclooxygenase-2 (COX-2) inhibitor [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04370  VEGF signaling pathway  
 
Metabolism
Enzyme: CYP2C9 [HSA:1559], CYP2D6 [HSA:1565]
Interaction
Genomic biomarker: CYP2C9 [HSA:1559]
Transporter inhibition: ABCC4 [HSA:10257]
CYP inhibition: CYP2D6 [HSA:1565]
Drug interaction
Structure map
1,2-Diphenyl substitution family
Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX33 Celecoxib
      D00567  Celecoxib (JAN/USAN/INN)
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AH Coxibs
     M01AH01 Celecoxib
      D00567  Celecoxib (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D00567  Celecoxib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   cyclooxygenase-2 (COX-2)
    Celecoxib
     D00567  Celecoxib (JAN/USAN/INN)
Antineoplastics [BR:br08308]
 Miscellaneous agents
  Other antineoplastic agents
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C9
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
  CYP2D6
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
 Inhbitors
  CYP2D6
   Celecoxib
    D00567  Celecoxib (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
169590-42-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    23.9641  -17.9834
            2   C1d C    25.3657  -17.9834
            3   N5x N    23.1231  -16.8622
            4   N4y N    21.8150  -17.2826
            5   C8y C    21.8150  -18.6842
            6   C8x C    23.1231  -19.1047
            7   X   F    25.3657  -19.3850
            8   X   F    26.7672  -17.9834
            9   X   F    25.3657  -16.5819
            10  C8y C    18.1709  -15.1803
            11  C8x C    18.1709  -16.5819
            12  C8x C    19.3856  -17.2826
            13  C8y C    20.6003  -16.5819
            14  C8x C    20.6003  -15.1803
            15  C8x C    19.3856  -14.4795
            16  C8x C    18.1709  -19.3850
            17  C8y C    18.1709  -20.7866
            18  C8x C    19.3856  -21.4874
            19  C8x C    20.6003  -20.7866
            20  C8y C    20.6003  -19.3850
            21  C8x C    19.3856  -18.6842
            22  C1a C    16.9572  -21.4876
            23  S4a S    16.9572  -14.4793
            24  O3c O    17.6570  -13.2647
            25  O3c O    16.2554  -15.6942
            26  N1a N    15.7415  -13.7787
BOND        28
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     2   8 1
            9     2   9 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   13   4 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   20   5 1
            24   17  22 1
            25   10  23 1
            26   23  24 2
            27   23  25 2
            28   23  26 1

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