KEGG   DRUG: D04028Help
Entry
D04028                      Drug                                   
Name
Orlistat (USAN/INN);
Xenical (TN)
Product
Formula
C29H53NO5
Exact mass
495.3924
Mol weight
495.7348
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Inhibitor [pancreatic lipase]
Remark
ATC code: 
Target
pancreatic triacylglycerol lipase inhibitor [HSA:5406 5407 5408] [KO:K14073 K14074 K14075];
bile salt-stimulated lipase inhibitor [HSA:1056] [KO:K12298];
phospholipase A2 inhibitor [HSA:26279 30814 391013 50487 5319 5320 5322 64600 81579 8399 84647] [KO:K01047]
  Pathway
hsa04972  Pancreatic secretion
hsa04975  Fat digestion and absorption  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A08 ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
   A08A ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
    A08AB Peripherally acting antiobesity products
     A08AB01 Orlistat
      D04028  Orlistat (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   pancreatic lipase [HSA:5406 5407 5408] [KO:K14073 K14074 K14075]
    Orlistat [ATC:A08AB01]
     D04028  Orlistat (USAN/INN)
   bile salt-stimulated lipase inhibitor [HSA:1056] [KO:K12298]
    Orlistat [ATC:A08AB01]
     D04028  Orlistat (USAN/INN)
   secretory phospholipase A2 (PLA2) [HSA:26279 30814 391013 50487 5319 5320 5322 64600 81579 8399 84647] [KO:K01047]
    Orlistat [ATC:A08AB01]
     D04028  Orlistat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
96829-58-2
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   O7x O    28.5122  -18.5427
            2   C1y C    28.5122  -19.9476
            3   C1y C    27.1072  -19.9476
            4   C7x C    27.1072  -18.5427
            5   O6a O    26.1237  -17.5592
            6   C1b C    25.9130  -20.6501
            7   C1b C    24.6485  -19.9476
            8   C1b C    23.4543  -20.6501
            9   C1b C    22.2601  -19.9476
            10  C1b C    20.9957  -20.6501
            11  C1a C    19.8014  -19.9476
            12  C1b C    29.7064  -20.6501
            13  C1c C    30.9708  -19.9476
            14  C1b C    32.1650  -20.6501
            15  C1b C    33.3593  -19.9476
            16  C1a C    34.9737  -20.6501
            17  O7a O    30.9708  -18.5427
            18  C7a C    32.1650  -17.8402
            19  O6a O    33.3593  -18.5427
            20  C1c C    32.1650  -16.4352
            21  C1b C    33.3593  -15.7328
            22  N1b N    30.9708  -15.7328
            23  C1c C    33.3593  -14.3278
            24  C1a C    32.1650  -13.6253
            25  C1a C    34.5535  -13.6253
            26  C4a C    29.7766  -16.4352
            27  O4a O    28.5824  -15.7328
            28  C1b C    32.1650  -20.6501
            29  C1b C    33.3593  -19.9476
            30  C1b C    32.1650  -20.6501
            31  C1b C    33.3593  -19.9476
            32  C1b C    32.1650  -20.6501
            33  C1b C    33.3593  -19.9476
            34  C1b C    32.1650  -20.6501
            35  C1b C    33.3593  -19.9476
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     4   5 2
            6     3   6 1 #Down
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  12 1 #Up
            13   12  13 1
            14   13  17 1 #Up
            15   17  18 1
            16   18  19 2
            17   18  20 1
            18   20  21 1
            19   20  22 1 #Up
            20   21  23 1
            21   23  24 1
            22   23  25 1
            23   22  26 1
            24   26  27 2
            25   13  14 1
            26   14  15 1
            27   15  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  34 1
            34   34  35 1
            35   35  16 1
BRACKET     1    31.9900  -21.6300   31.9900  -19.7400
            1    33.5300  -19.7400   33.5300  -21.6300
            1  5
 ORIGINAL  1   14  15
 REPEAT    1   28  29  30  31  32  33  34  35

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