KEGG   DRUG: Ibuprofen lysineHelp
Entry
D06606                      Drug                                   

Name
Ibuprofen lysine (USAN);
Ibuprofen L-lysine (JAN);
Solufenum;
Neoprofen (TN)
Product
  Generic
Formula
C13H18O2. C6H14N2O2
Exact mass
352.2362
Mol weight
352.4684
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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
Therapeutic category: 2190
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Product (mixture): D11573<US>
Efficacy
Anti-inflammatory, COX inhibitor
  Disease
Patent ductus arteriosus [DS:H01630]
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
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
  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
      D06606  Ibuprofen lysine (USAN) <JP/US>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX02 Ibuprofen
      D06606  Ibuprofen lysine (USAN) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D06606  Ibuprofen lysine (USAN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D06606  Ibuprofen lysine (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D06606  Ibuprofen lysine (USAN); Ibuprofen L-lysine (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D06606  Ibuprofen lysine (USAN) <JP/US>
    PTGS2 (COX2)
     D06606  Ibuprofen lysine (USAN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06606
BRITE hierarchy
Other DBs
CAS: 57469-77-9
PubChem: 47208257
ChEMBL: CHEMBL1201141
DrugBank: DB01050
LigandBox: D06606
NIKKAJI: J300.133D
KCF data Show

ATOM        25
            1   O6a O    20.3332   -6.2439
            2   C6a C    19.1211   -6.9446
            3   C1c C    17.9081   -6.2451
            4   O6a O    19.1217   -8.3447
            5   C8y C    16.6960   -6.9458
            6   C8x C    15.4888   -6.2435
            7   C8x C    14.2768   -6.9443
            8   C8y C    14.2774   -8.3444
            9   C8x C    15.4903   -9.0437
            10  C8x C    16.7023   -8.3429
            11  C1b C    13.0652   -9.0449
            12  C1c C    11.8523   -8.3456
            13  C1a C    10.6402   -9.0462
            14  C1a C    11.8516   -6.9455
            15  C1a C    17.9073   -4.8397
            16  C1c C    25.1750   -7.3860
            17  C1b C    26.3902   -6.7082
            18  C6a C    24.0241   -6.6381
            19  N1a N    25.2159   -8.7940
            20  C1b C    27.5997   -7.4211
            21  O6a O    22.7971   -7.3218
            22  O6a O    24.0240   -5.2357
            23  C1b C    28.8269   -6.7373
            24  C1b C    30.0364   -7.4562
            25  N1a N    31.2633   -6.7724
BOND        24
            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   16  18 1
            18   16  19 1 #Down
            19   17  20 1
            20   18  21 1
            21   18  22 2
            22   20  23 1
            23   23  24 1
            24   24  25 1

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