KEGG   DRUG: D00107Help
Entry
D00107                      Drug                                   

Name
Tacrolimus hydrate (JP16);
Tacrolimus (USAN/INN);
Prograf (TN);
Protopic (TN)
Product
  Generic
Formula
C44H69NO12. H2O
Exact mass
821.4925
Mol weight
822.0334
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Streptomyces tsukubaensis [TAX:83656]
Activity
Immunosuppressant [DS:H00083 H00084]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Macrolide
Complex Tacrolimus and FK506 binding protein (FKBP12/12.6) [HSA:2280 2281] [KO:K09568] inhibit calcineurin.
Target
calcineurin inhibitor [HSA:5530 5532 5533 5534 5535 11261 63928] [KO:K04348 K06268 K17610 K17611]
  Pathway
hsa04660  T cell receptor signaling pathway  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Immunosuppressive agents
Antirheumatics - DMARDs and biological agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH01 Tacrolimus
      D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AD Calcineurin inhibitors
     L04AD02 Tacrolimus
      D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
USP drug classification [BR:br08302]
 Dermatological Agents
  Tacrolimus
   D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
 Immunological Agents
  Immune Suppressants
   Tacrolimus
    D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   calcineurin
    Tacrolimus
     D00107  Tacrolimus (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Tacrolimus
    D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
  CYP3A5
   Tacrolimus
    D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
  CYP3A7
   Tacrolimus
    D00107  Tacrolimus hydrate (JP16); Tacrolimus (USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00107  Tacrolimus hydrate
BRITE hierarchy
Other DBs
CAS: 
109581-93-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   O0  O    31.6167  -21.2567
            2   C2c C    22.3300  -12.4600
            3   C2b C    22.3300  -11.0600
            4   C1y C    21.1400  -10.2900
            5   C1x C    21.1400   -8.8900
            6   C1x C    19.8800   -8.1900
            7   C1y C    18.6900   -8.8900
            8   C1y C    18.6900  -10.2900
            9   C1x C    19.8800  -11.0600
            10  O2a O    17.5000  -11.0600
            11  O1a O    17.5000   -8.1900
            12  C1a C    16.3100  -10.2900
            13  C1c C    23.5900  -13.1600
            14  C1a C    21.1400  -13.1600
            15  C1c C    24.7800  -12.4600
            16  C1c C    25.9700  -13.1600
            17  C1b C    25.9700  -14.5600
            18  C5a C    27.3000  -15.1200
            19  C1c C    27.9300  -16.4500
            20  C2b C    27.2300  -17.7100
            21  C2c C    25.9700  -18.4100
            22  C1a C    24.7800  -17.7100
            23  C1b C    25.9700  -19.8100
            24  C1c C    24.7800  -20.5100
            25  C1a C    23.5900  -19.8100
            26  C1b C    25.4800  -21.7000
            27  C1c C    24.5000  -22.8200
            28  C1y C    23.1700  -22.4000
            29  C1y C    22.1200  -23.4500
            30  C1x C    20.7900  -23.1000
            31  C1y C    20.4400  -21.7000
            32  C1z C    21.4200  -20.7200
            33  O2x O    22.8200  -21.0700
            34  O2a O    22.5400  -24.7800
            35  O2a O    24.8500  -24.1500
            36  C1a C    26.1800  -24.5700
            37  C1a C    21.4900  -25.7600
            38  O1a O    22.6800  -20.0900
            39  C5a C    20.7200  -19.5300
            40  C5a C    21.4200  -18.2700
            41  N1y N    20.7200  -17.0800
            42  C1x C    19.3200  -17.0800
            43  C1y C    21.4200  -15.8900
            44  C1x C    20.7200  -14.6300
            45  C1x C    19.3200  -14.6300
            46  C1x C    18.6200  -15.8200
            47  O5a O    22.8900  -18.2700
            48  O5a O    19.3200  -19.5300
            49  C1a C    19.0400  -21.3500
            50  C7a C    22.8900  -15.8900
            51  O6a O    23.5900  -17.0800
            52  O7a O    23.5900  -14.6300
            53  C1a C    24.7800  -11.0600
            54  O1a O    27.1600  -12.4600
            55  O5a O    28.3500  -14.3500
            56  C1b C    29.3300  -16.4500
            57  C2b C    30.1000  -15.3300
            58  C2a C    31.4300  -15.2600
BOND        60
            1     2   3 2
            2     4   3 1 #Up
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     4   9 1
            9     8  10 1 #Up
            10    7  11 1 #Down
            11   10  12 1
            12    2  13 1
            13    2  14 1
            14   13  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   21  23 1
            23   23  24 1
            24   24  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   33  28 1
            34   29  34 1 #Up
            35   27  35 1 #Down
            36   35  36 1
            37   34  37 1
            38   32  38 1 #Up
            39   32  39 1
            40   39  40 1
            41   42  41 1
            42   41  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   42  46 1
            47   40  41 1
            48   40  47 2
            49   39  48 2
            50   31  49 1 #Up
            51   43  50 1
            52   50  51 2
            53   50  52 1
            54   13  52 1 #Down
            55   15  53 1 #Down
            56   16  54 1 #Up
            57   18  55 2
            58   19  56 1 #Down
            59   56  57 1
            60   57  58 2

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