KEGG   DRUG: Ibuprofen arginine saltHelp
Entry
D08058                      Drug                                   

Name
Ibuprofen arginine salt;
Zafen (TN)
Formula
C13H18O2. C6H14N4O2
Exact mass
380.2424
Mol weight
380.4818
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01908  Anti-inflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Drug interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D08058  Ibuprofen arginine salt
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D08058  Ibuprofen arginine salt
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D08058  Ibuprofen arginine salt
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D08058  Ibuprofen arginine salt
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX02 Ibuprofen
      D08058  Ibuprofen arginine salt
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08058  Ibuprofen arginine salt
    PTGS2 (COX2)
     D08058  Ibuprofen arginine salt
BRITE hierarchy
Other DBs
PubChem: 96024750
LigandBox: D08058
KCF data Show

ATOM        27
            1   O6a O    24.3600  -17.6400
            2   C6a C    23.1700  -18.3400
            3   C1c C    21.9800  -17.6400
            4   O6a O    23.1700  -19.7400
            5   C8y C    20.7900  -18.3400
            6   C8x C    19.5300  -17.6400
            7   C8x C    18.3400  -18.3400
            8   C8y C    18.3400  -19.7400
            9   C8x C    19.5300  -20.4400
            10  C8x C    20.7900  -19.7400
            11  C1b C    17.1500  -20.4400
            12  C1c C    15.8900  -19.7400
            13  C1a C    14.7000  -20.4400
            14  C1a C    15.8900  -18.3400
            15  C1a C    21.9800  -16.2400
            16  N1a N    37.1000  -18.9000
            17  C2c C    35.8400  -18.2000
            18  N1b N    34.6500  -18.9000
            19  C1b C    33.4600  -18.2000
            20  C1b C    32.2000  -18.9000
            21  C1b C    31.0100  -18.2000
            22  C1c C    29.8200  -18.9000
            23  C6a C    28.5600  -18.2000
            24  N2a N    35.8400  -16.8000
            25  N1a N    29.8200  -20.3000
            26  O6a O    27.3700  -18.9000
            27  O6a O    28.5600  -16.8000
BOND        26
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   17  24 2
            24   22  25 1 #Down
            25   23  26 1
            26   23  27 2

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