KEGG   DRUG: Celecoxib
Entry
D00567                      Drug                                   
Name
Celecoxib (JP18/USP/INN);
Celebrex (TN);
Onsenal (TN)
Product
CELEBREX (PFIZER LABORATORIES DIV PFIZER), CELEBREX (Proficient Rx LP), CELEBREX (Viatris Specialty LLC), ELYXYB - CELECOXIB (SCILEX PHARMACEUTICALS)
  Generic
CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (A-S Medication Solutions), CELECOXIB (Actavis Pharma), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx Pharmacy of Tennessee), CELECOXIB (Advanced Rx of Tennessee), CELECOXIB (Advanced Rx of Tennessee), CELECOXIB (Advanced Rx of Tennessee), CELECOXIB (Advanced Rx of Tennessee), CELECOXIB (Alembic Pharmaceuticals Limited), CELECOXIB (Alembic Pharmaceuticals), CELECOXIB (American Health Packaging), CELECOXIB (Amneal Pharmaceuticals LLC), CELECOXIB (Aphena Pharma Solutions - Tennessee), CELECOXIB (Aphena Pharma Solutions - Tennessee), CELECOXIB (Aphena Pharma Solutions - Tennessee), CELECOXIB (Apotex Corp.), CELECOXIB (Asclemed USA), CELECOXIB (Asclemed USA), CELECOXIB (Asclemed USA), CELECOXIB (Asclemed USA), CELECOXIB (Aurobindo Pharma Limited), CELECOXIB (AvPAK), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Bryant Ranch Prepack), CELECOXIB (Cadila Pharmaceuticals Limited), CELECOXIB (Cardinal Health 107), CELECOXIB (Chartwell RX), CELECOXIB (Cipla USA), CELECOXIB (Cranbury Pharmaceuticals), CELECOXIB (Direct Rx), CELECOXIB (DirectRx), CELECOXIB (EPIC PHARMA), CELECOXIB (Greenstone LLC), CELECOXIB (Lupin Pharmaceuticals), CELECOXIB (Macleods Pharmaceuticals Limited), CELECOXIB (Major Pharmaceuticals), CELECOXIB (McKesson Corporation dba SKY Packaging), CELECOXIB (Medsource Pharmaceuticals), CELECOXIB (Medsource Pharmaceuticals), CELECOXIB (Micro Labs Limited), CELECOXIB (Modavar Pharmaceuticals LLC), CELECOXIB (Mullan Phamaceutical), CELECOXIB (NCS HealthCare of KY), CELECOXIB (NCS HealthCare of KY), CELECOXIB (NCS HealthCare of KY), CELECOXIB (NIVAGEN PHARMACEUTICALS), CELECOXIB (NorthStar RxLLC), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (Northwind Pharmaceuticals), CELECOXIB (NuCare Pharmaceuticals), CELECOXIB (NuCare Pharmaceuticals), CELECOXIB (NuCare Pharmaceuticals), CELECOXIB (PD-Rx Pharmaceuticals), CELECOXIB (PD-Rx Pharmaceuticals), CELECOXIB (PD-Rx Pharmaceuticals), CELECOXIB (PD-Rx Pharmaceuticals), CELECOXIB (Preferred Pharmaceuticals), CELECOXIB (Preferred Pharmaceuticals), CELECOXIB (Preferred Pharmaceuticals), CELECOXIB (Preferred Pharmaceuticals), CELECOXIB (Preferred Pharmaceuticals), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Proficient Rx LP), CELECOXIB (Qingdao BAHEAL Pharmaceutical), CELECOXIB (Quality Care Products LLC), CELECOXIB (Quality Care Products), CELECOXIB (Quality Care Products), CELECOXIB (Quallent Pharmaceuticals Health LLC), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (REMEDYREPACK), CELECOXIB (Radha Pharmaceuticals), CELECOXIB (RedPharm Drug), CELECOXIB (RedPharm Drug), CELECOXIB (Redpharm Drug), CELECOXIB (ST. MARY'S MEDICAL PARK PHARMACY), CELECOXIB (ScieGen Pharmaceuticals), CELECOXIB (St Mary's Medical Park Pharmacy), CELECOXIB (St. Mary's Medical Park Pharmacy), CELECOXIB (St. Mary's Medical Park Pharmacy), CELECOXIB (Tianjin Tianyao Pharmaceuticals), CELECOXIB (Torrent Pharmaceuticals Limited), CELECOXIB (Torrent Pharmaceuticals Limited), CELECOXIB (Unichem Pharmaceuticals (USA)), CELECOXIB (Westminster Pharmaceuticals), CELECOXIB (Yiling Pharmaceutical), CELECOXIB 200 MG (Proficient Rx LP)
Formula
C17H14F3N3O2S
Exact mass
381.0759
Mol weight
381.37
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01922  Selective COX2 inhibitor
   DG01907  Anti-inflammatory drug, coxibs
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C07589
Therapeutic category: 1149
ATC code: L01XX33 M01AH01
Product: D00567<JP/US>
Efficacy
Analgesic, Anti-inflammatory, COX-2 inhibitor
  Disease
Rheumatoid arthritis [DS:H00630]
Juvenile rheumatoid arthritis [DS:H01672]
Ankylosing spondylitis [DS:H01674]
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07112  1,2-Diphenyl substitution family
map07219  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 (JP18/USP/INN) <JP/US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AH Coxibs
     M01AH01 Celecoxib
      D00567  Celecoxib (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Celecoxib
    D00567  Celecoxib (JP18/USP/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 (JP18/USP/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01922  Selective COX2 inhibitor
    DG01907  Anti-inflammatory drug, coxibs
     D00567  Celecoxib
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   D00567  Celecoxib
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   D00567  Celecoxib
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D00567  Celecoxib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D00567  Celecoxib (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00567  Celecoxib
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00567
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00567
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00567
Other DBs
CAS: 169590-42-5
PubChem: 7847633
ChEBI: 41423
PDB-CCD: CEL[PDBj]
LigandBox: D00567
LinkDB
KCF data

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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