KEGG   DRUG: TolmetinHelp
Entry
D02355                      Drug                                   

Name
Tolmetin (USAN/INN)
Formula
C15H15NO3
Exact mass
257.1052
Mol weight
257.2845
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01906  Antiinflammatory drug, acetic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01906  Antiinflammatory drug, acetic acid derivatives
Remark
Same as: C07149
ATC code: M01AB03 M02AA21
Chemical structure group: DG00747
Product (DG00747): D00158<US>
Efficacy
Anti-inflammatory, COX inhibitor
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]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB03 Tolmetin
      D02355  Tolmetin (USAN/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
     M02AA21 Tolmetin
      D02355  Tolmetin (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Tolmetin
    D02355  Tolmetin (USAN/INN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Tolmetin
    D02355  Tolmetin (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D02355  Tolmetin (USAN/INN)
    PTGS2 (COX2)
     D02355  Tolmetin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 26171-23-3
PubChem: 7849414
ChEBI: 71941
ChEMBL: CHEMBL1020
DrugBank: DB00500
PDB-CCD: TLT[PDBj]
LigandBox: D02355
NIKKAJI: J20.519B
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    22.2600  -21.7000
            2   C5a C    21.0000  -21.1400
            3   N4y N    23.3100  -20.8600
            4   C8x C    22.7500  -23.0300
            5   C8y C    19.7400  -21.7700
            6   O5a O    21.0000  -19.7400
            7   C8y C    24.5000  -21.6300
            8   C1a C    23.3100  -19.3900
            9   C8x C    24.0800  -23.0300
            10  C8x C    18.5500  -21.0700
            11  C8x C    19.7400  -23.1700
            12  C1b C    25.8300  -21.0700
            13  C8x C    17.3600  -21.7700
            14  C8x C    18.5500  -23.8700
            15  C6a C    26.8800  -21.7700
            16  C8y C    17.3600  -23.1700
            17  O6a O    28.3500  -21.1400
            18  O6a O    26.8800  -23.1700
            19  C1a C    16.1700  -23.8700
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19    7   9 2
            20   14  16 2

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