KEGG   DRUG: PropacetamolHelp
Entry
D07294                      Drug                                   

Name
Propacetamol (INN)
Formula
C14H20N2O3
Exact mass
264.1474
Mol weight
264.3202
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01981  Antiinflammatory drug, anilide derivatives
Remark
ATC code: N02BE05
Chemical structure group: DG00828
Efficacy
Analgesic, Antipyretic
Comment
Aniline derivative
Active form of prodrug: Acetaminophen [DR:D00217]
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BE Anilides
     N02BE05 Propacetamol
      D07294  Propacetamol (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07294  Propacetamol (INN)
    PTGS2 (COX2)
     D07294  Propacetamol (INN)
Prodrugs [br08324.html]
 D07294
Prodrugs [br08324.html]
 DG00828
BRITE hierarchy
Other DBs
CAS: 66532-85-2
PubChem: 51091631
ChEMBL: CHEMBL1851805
LigandBox: D07294
NIKKAJI: J32.504J
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8x C    29.9600  -19.2500
            2   C8y C    29.9600  -17.8500
            3   C8x C    28.7700  -17.1500
            4   C8x C    27.5800  -17.8500
            5   C8y C    27.5800  -19.2500
            6   C8x C    28.7700  -19.9500
            7   O7a O    26.3200  -19.9500
            8   C7a C    25.1300  -19.2500
            9   C1b C    23.8700  -19.9500
            10  N1c N    22.6800  -19.2500
            11  C1b C    21.4900  -19.9500
            12  C1a C    20.2300  -19.2500
            13  N1b N    31.1500  -17.1500
            14  C5a C    32.4100  -17.8500
            15  C1a C    33.6000  -17.1500
            16  O5a O    32.4100  -19.2500
            17  O6a O    25.1300  -17.8500
            18  C1b C    22.6800  -17.8500
            19  C1a C    21.4676  -17.1500
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    2  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17    8  17 2
            18   10  18 1
            19   18  19 1

» Japanese version   » Back

DBGET integrated database retrieval system