KEGG   DRUG: CarprofenHelp
Entry
D03410                      Drug                                   

Name
Carprofen (USAN/INN);
Rimadyl (TN)
Formula
C15H12ClNO2
Exact mass
273.0557
Mol weight
273.7143
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
Same as: C18364
Efficacy
Anti-inflammatory
Comment
veterinary (for oral use in dogs only)
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
ko00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D03410  Carprofen (USAN/INN)
    PTGS2 (COX2)
     D03410  Carprofen (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 53716-49-7
PubChem: 17397550
ChEBI: 364453
ChEMBL: CHEMBL1316
DrugBank: DB00821
LigandBox: D03410
NIKKAJI: J299.789D
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    26.0690  -24.7872
            2   C8y C    26.0690  -26.1386
            3   C8y C    28.4096  -26.1386
            4   C8y C    28.4096  -24.7872
            5   N4x N    27.2392  -24.1115
            6   C8x C    29.5799  -26.8142
            7   C8x C    30.7502  -26.1386
            8   C8y C    30.7502  -24.7872
            9   C8x C    29.5799  -24.1115
            10  C8x C    24.8987  -24.1115
            11  C8x C    23.7283  -24.7872
            12  C8y C    23.7283  -26.1386
            13  C8x C    24.8987  -26.8142
            14  C1c C    31.9015  -24.1115
            15  C6a C    33.0719  -24.7872
            16  O6a O    34.2422  -24.1115
            17  C1a C    31.8967  -22.7602
            18  O6a O    33.0719  -26.1384
            19  X   Cl   22.5295  -26.8304
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     3   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    4   9 1
            11    1  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13   2 2
            16    8  14 1
            17   14  15 1
            18   15  16 1
            19   14  17 1
            20   15  18 2
            21   12  19 1

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