KEGG   DRUG: SalsalateHelp
Entry
D00428                      Drug                                   

Name
Salsalate (USP/INN);
Sasapyrine (JAN);
Disalcid (TN)
Formula
C14H10O5
Exact mass
258.0528
Mol weight
258.2262
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01909  Antiinflammatory drug, salicylic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01909  Antiinflammatory drug, salicylic acid derivatives
Remark
ATC code: N02BA06
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
  Disease
Rheumatoid arthritis [DS:H00630]
Comment
Salicylic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA06 Salsalate
      D00428  Salsalate (USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Sasapyrine
    D00428  Salsalate (USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Sasapyrine
    D00428  Salsalate (USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00428  Salsalate (USP/INN)
    PTGS2 (COX2)
     D00428  Salsalate (USP/INN)
Drug classes of therapeutic agents [br08360.html]
 Antirheumatic and antigout agents
  D00428
 Anesthetics, analgesics and anti-inflammatory drugs
  D00428
BRITE hierarchy
Other DBs
CAS: 552-94-3
PubChem: 7847494
ChEBI: 9014
ChEMBL: CHEMBL154111
DrugBank: DB01399
LigandBox: D00428
NIKKAJI: J2.069I
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    16.8000  -16.5200
            2   C8y C    15.6100  -15.8200
            3   O7a O    17.9900  -15.8200
            4   C8x C    16.8000  -17.9200
            5   C8x C    14.4200  -16.5200
            6   C6a C    15.6100  -14.4200
            7   C7a C    19.2500  -16.5200
            8   C8x C    15.6100  -18.6200
            9   C8x C    14.4200  -17.9200
            10  O6a O    14.4200  -13.7900
            11  O6a O    16.8000  -13.7200
            12  C8y C    20.4400  -15.8200
            13  O6a O    19.2500  -17.9200
            14  C8y C    21.6300  -16.5200
            15  C8x C    20.4400  -14.4200
            16  C8x C    22.8900  -15.8200
            17  O1a O    21.6300  -17.9200
            18  C8x C    21.6300  -13.7200
            19  C8x C    22.8900  -14.4200
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   12  14 2
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 2
            18   16  19 2
            19    8   9 1
            20   18  19 1

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