KEGG   DRUG: Indomethacin sodium
Entry
D02110                      Drug                                   

Name
Indomethacin sodium (USP);
Indometacin sodium hydrate (JAN);
Indomethacin sodium trihydrate;
Indometacin sodium;
Indocin I.V. (TN)
Product
  Generic
Formula
C19H15ClNO4. 3H2O. Na
Exact mass
433.0904
Mol weight
433.8153
Structure
Simcomp
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
Remark
Therapeutic category: 2190
ATC code: C01EB03 M01AB01 M02AA23 S01BC01
Chemical structure group: DG00241
Product (DG00241): D00141<JP/US> D01565<JP> D02110<JP/US>
Efficacy
Anti-inflammatory, Cardiovascular agent, COX inhibitor
Comment
Indole acetic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB03 Indometacin
      D02110  Indomethacin sodium (USP) <JP/US>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB01 Indometacin
      D02110  Indomethacin sodium (USP) <JP/US>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA23 Indometacin
      D02110  Indomethacin sodium (USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC01 Indometacin
      D02110  Indomethacin sodium (USP) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Indomethacin
    D02110  Indomethacin sodium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D02110  Indomethacin sodium (USP); Indometacin sodium hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D02110  Indomethacin sodium (USP) <JP/US>
    PTGS2 (COX2)
     D02110  Indomethacin sodium (USP) <JP/US>
Other DBs
CAS: 74252-25-8
PubChem: 7849171
ChEMBL: CHEMBL3989410
DrugBank: DB00328
LigandBox: D02110
LinkDB
KCF data

ATOM        29
            1   C8y C    21.1257  -17.8394
            2   C8y C    21.1187  -19.3169
            3   C1a C    22.4058  -20.0688
            4   C6a C    23.7002  -17.8586
            5   C1b C    22.4129  -17.1068
            6   C8y C    18.7772  -19.2026
            7   C8y C    18.7772  -17.8443
            8   N4y N    19.9606  -19.8922
            9   C8x C    17.5875  -19.8735
            10  C8x C    17.5875  -17.1557
            11  C5a C    19.9253  -21.2367
            12  C8x C    16.4228  -19.2026
            13  C8y C    16.4228  -17.8443
            14  C8y C    19.1044  -21.6949
            15  O2a O    15.2590  -17.1804
            16  C8x C    17.9102  -21.0300
            17  C8x C    19.1025  -23.0588
            18  C1a C    14.0872  -17.8630
            19  C8x C    16.7373  -21.7153
            20  C8x C    17.9487  -23.7396
            21  C8y C    16.7568  -23.0666
            22  X   Cl   15.6094  -23.7585
            23  O6a O    24.9873  -17.1191 #-
            24  O6a O    23.7002  -19.3362
            25  O5a O    21.1290  -21.9649
            26  Z   Na   26.9719  -17.2204 #+
            27  O0  O    29.4191  -21.3993
            28  O0  O    29.4191  -21.3993
            29  O0  O    29.4191  -21.3993
BOND        27
            1     6   7 2
            2     6   8 1
            3     6   9 1
            4     7   1 1
            5     7  10 1
            6     8   2 1
            7     8  11 1
            8     9  12 2
            9    10  13 2
            10   11  14 1
            11   13  15 1
            12   14  16 2
            13   14  17 1
            14   15  18 1
            15   16  19 1
            16   17  20 2
            17   19  21 2
            18   21  22 1
            19   12  13 1
            20   20  21 1
            21    4   5 1
            22    4  23 1
            23    5   1 1
            24    4  24 2
            25    1   2 2
            26    2   3 1
            27   11  25 2
BRACKET     1    27.5100  -22.1900   27.5100  -20.3000
            1    29.8200  -20.3000   29.8200  -22.1900
            1  3
 ORIGINAL  1   27
 REPEAT    1   28  29

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