KEGG   DRUG: D05094Help
Entry
D05094                      Drug                                   

Name
Mycophenolate mofetil hydrochloride (USAN);
Cellcept (TN)
Formula
C23H31NO7. HCl
Exact mass
469.1867
Mol weight
469.9557
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Transplantation [immunosuppressant] [DS:H00080 H00083]
Remark
ATC code: 
Drug group: 
Target
IMP dehydrogenase inhibitor [HSA:3614 3615] [KO:K00088]
  Pathway
hsa00230  Purine metabolism
hsa00983  Drug metabolism - other enzymes  
 
Interaction
Genomic biomarker: HGPRT [HSA:3251]
Drug interaction
Structure map
Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA06 Mycophenolic acid
      D05094  Mycophenolate mofetil hydrochloride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   IMP dehydrogenase
    Mycophenolic acid
     D05094  Mycophenolate mofetil hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
116680-01-4
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8y C    32.5108  -17.7327
            2   C8y C    32.5050  -16.3189
            3   C8y C    31.2957  -18.4278
            4   C1x C    33.8487  -18.1650
            5   C8y C    31.2957  -15.6179
            6   C7x C    33.8427  -15.8865
            7   C8y C    30.0805  -17.7327
            8   C1a C    31.2957  -19.8358
            9   O7x O    34.6723  -17.0258
            10  C8y C    30.0805  -16.3189
            11  O1a O    31.2957  -14.2158
            12  O6a O    34.2810  -14.5488
            13  O2a O    28.8654  -18.4278
            14  C1b C    28.8654  -15.6179
            15  C1a C    28.8654  -19.8358
            16  C2b C    27.6504  -16.3132
            17  C2c C    26.4352  -15.6121
            18  C1b C    25.2258  -16.3072
            19  C1a C    26.4411  -14.2100
            20  C1b C    24.0108  -15.6062
            21  C7a C    22.7957  -16.2955
            22  O7a O    21.5805  -15.6005
            23  O6a O    22.7899  -17.7034
            24  C1b C    20.3713  -16.2897
            25  C1b C    19.1620  -15.5944
            26  N1y N    17.9469  -16.2838
            27  C1x C    16.7376  -15.5828
            28  C1x C    17.9410  -17.6802
            29  C1x C    15.5284  -16.2781
            30  C1x C    16.7260  -18.3812
            31  O2x O    15.5225  -17.6743
            32  X   Cl   37.3800  -19.1800
BOND        33
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 2
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31    6   9 1
            32    7  10 1
            33   30  31 1

» Japanese version   » Back

DBGET integrated database retrieval system