KEGG   DRUG: ApricoxibHelp
Entry
D08657                      Drug                                   

Name
Apricoxib (USAN/INN)
Formula
C19H20N2O3S
Exact mass
356.1195
Mol weight
356.4387
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01907  Antiinflammatory drug, coxibs
 DG01922  Selective COX2 inhibitor
  DG01907  Antiinflammatory drug, coxibs
Efficacy
Anti-inflammatory, COX-2 inhibitor
Comment
Coxibs
Treatment of pain and inflammation, oncology
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D08657  Apricoxib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 197904-84-0
PubChem: 96025340
ChEMBL: CHEMBL1835207
LigandBox: D08657
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    26.3200  -23.4500
            2   C1a C    27.7200  -23.4500
            3   C8x C    25.4800  -22.3300
            4   N4y N    24.2200  -22.7500
            5   C8y C    24.2200  -24.1500
            6   C8x C    25.4800  -24.5700
            7   C8y C    20.5800  -20.6500
            8   C8x C    20.5800  -22.0500
            9   C8x C    21.7700  -22.7500
            10  C8y C    22.9600  -22.0500
            11  C8x C    22.9600  -20.6500
            12  C8x C    21.7700  -19.9500
            13  C8x C    20.5800  -24.8500
            14  C8y C    20.5800  -26.2500
            15  C8x C    21.7700  -26.9500
            16  C8x C    22.9600  -26.2500
            17  C8y C    22.9600  -24.8500
            18  C8x C    21.7700  -24.1500
            19  O2a O    19.3200  -26.9500
            20  S4a S    19.3200  -19.9500
            21  O3c O    20.0200  -18.6900
            22  O3c O    18.6200  -21.1400
            23  N1a N    18.1300  -19.2500
            24  C1b C    18.1193  -26.2301
            25  C1a C    16.8954  -26.9100
BOND        27
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   10   4 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   17   5 1
            21   14  19 1
            22    7  20 1
            23   20  21 2
            24   20  22 2
            25   20  23 1
            26   19  24 1
            27   24  25 1

» Japanese version   » Back

DBGET integrated database retrieval system