KEGG   DRUG: KetorolacHelp
Entry
D08104                      Drug                                   

Name
Ketorolac (INN);
Toradol (TN)
Formula
C15H13NO3
Exact mass
255.0895
Mol weight
255.2686
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: C07062
ATC code: M01AB15 S01BC05
Chemical structure group: DG00751
Product (DG00751): D00813<US>
Product (mixture): D10837<US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Non-steroidal anti-inflammatory drug (NSAID)
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
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
     M01AB15 Ketorolac
      D08104  Ketorolac (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC05 Ketorolac
      D08104  Ketorolac (INN)
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ketorolac
    D08104  Ketorolac (INN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Ketorolac
    D08104  Ketorolac (INN)
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Ketorolac
    D08104  Ketorolac (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08104  Ketorolac (INN)
    PTGS2 (COX2)
     D08104  Ketorolac (INN)
BRITE hierarchy
Other DBs
CAS: 74103-06-3
PubChem: 96024794
ChEBI: 6129
ChEMBL: CHEMBL469
DrugBank: DB00465
LigandBox: D08104
NIKKAJI: J276.267F
LinkDB All DBs
KCF data Show

ATOM        19
            1   N4y N    24.8500  -17.0800
            2   C8y C    25.9700  -17.9200
            3   C8y C    23.7300  -17.9900
            4   C1x C    25.2700  -15.7500
            5   C1y C    27.0900  -17.0800
            6   C8x C    25.5500  -19.2500
            7   C5a C    22.4700  -17.2200
            8   C8x C    24.1500  -19.2500
            9   C1x C    26.6000  -15.7500
            10  C6a C    28.2800  -17.7800
            11  C8y C    21.2800  -17.9900
            12  O5a O    22.4700  -15.8200
            13  O6a O    29.5400  -17.0800
            14  O6a O    28.2800  -19.1800
            15  C8x C    21.2800  -19.3900
            16  C8x C    20.0200  -17.2900
            17  C8x C    20.0200  -20.0900
            18  C8x C    18.8300  -17.9900
            19  C8x C    18.8300  -19.3900
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    7  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 2
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19    5   9 1
            20    6   8 1
            21   18  19 1

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