KEGG   DRUG: Bufexamac
Entry
D01271                      Drug                                   
Name
Bufexamac (JAN/INN);
Anderm (TN)
Formula
C12H17NO3
Exact mass
223.1208
Mol weight
223.2683
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
Remark
ATC code: M01AB17 M02AA09
Efficacy
Anti-inflammatory, COX inhibitor
Comment
Nonsteroidal anti-inflammatory drug (NSAID)
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB17 Bufexamac
      D01271  Bufexamac (JAN/INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA09 Bufexamac
      D01271  Bufexamac (JAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D01271  Bufexamac (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Bufexamac
    D01271  Bufexamac (JAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    D01271  Bufexamac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01271  Bufexamac (JAN/INN)
    PTGS2 (COX2)
     D01271  Bufexamac (JAN/INN)
Other DBs
CAS: 2438-72-4
PubChem: 7848334
ChEBI: 31317
PDB-CCD: A4Z[PDBj]
LigandBox: D01271
NIKKAJI: J3.390A
KCF data

ATOM        16
            1   C8x C    28.3500  -24.0800
            2   C8y C    28.3500  -25.4800
            3   C8x C    29.6100  -26.1800
            4   C8x C    30.8000  -25.4800
            5   C8y C    30.8000  -24.0800
            6   C8x C    29.6100  -23.3800
            7   C1b C    31.9900  -23.3800
            8   C5a C    33.1800  -24.0800
            9   N1b N    34.4400  -23.3800
            10  O5a O    33.1800  -25.4800
            11  O1b O    35.6300  -24.0800
            12  O2a O    27.1600  -26.1800
            13  C1b C    25.9700  -25.4800
            14  C1b C    24.7100  -26.1800
            15  C1b C    23.5200  -25.4800
            16  C1a C    22.3300  -26.1800
BOND        16
            1     7   8 1
            2     2   3 2
            3     8   9 1
            4     3   4 1
            5     8  10 2
            6     4   5 2
            7     9  11 1
            8     5   6 1
            9     2  12 1
            10    6   1 2
            11   12  13 1
            12   13  14 1
            13    5   7 1
            14   14  15 1
            15    1   2 1
            16   15  16 1

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