KEGG   DRUG: SalicylamideHelp
Entry
D01811                      Drug                                   

Name
Salicylamide (JAN/USP/INN);
Salicylamide (TN)
Formula
C7H7NO2
Exact mass
137.0477
Mol weight
137.136
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: N02BA05
Product (mixture): D04046<JP> D04044<JP>
Efficacy
Analgesic
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
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA05 Salicylamide
      D01811  Salicylamide (JAN/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D01811  Salicylamide (JAN/USP/INN)
  03 Antipyretic analgesic agents
   D01811  Salicylamide (JAN/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Salicylamide
    D01811  Salicylamide (JAN/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Salicylamide
    D01811  Salicylamide (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01811  Salicylamide (JAN/USP/INN)
    PTGS2 (COX2)
     D01811  Salicylamide (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 65-45-2
PubChem: 7848873
ChEBI: 32114
ChEMBL: CHEMBL27577
PDB-CCD: OHB[PDBj]
LigandBox: D01811
NIKKAJI: J1.408G
LinkDB All DBs
KCF data Show

ATOM        10
            1   C8x C    23.9552  -17.7951
            2   C8x C    23.9552  -19.1953
            3   C8x C    25.1707  -19.8954
            4   C8x C    26.3792  -19.1953
            5   C8y C    26.3792  -17.7951
            6   C8y C    25.1707  -17.0949
            7   C5a C    25.1724  -15.6947
            8   N1a N    26.3859  -14.9961
            9   O5a O    23.9608  -14.9931
            10  O1a O    27.5923  -17.0958
BOND        10
            1     4   5 1
            2     5   6 2
            3     6   1 1
            4     6   7 1
            5     1   2 2
            6     7   8 1
            7     2   3 1
            8     7   9 2
            9     3   4 2
            10    5  10 1

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