KEGG   DRUG: Mycophenolic acid
Entry
D05096                      Drug                                   
Name
Mycophenolic acid (USAN/INN);
Mycophenolic acid (TN)
Formula
C17H20O6
Exact mass
320.126
Mol weight
320.3371
Structure
Simcomp
Source
Penicillium brevicompactum [TAX:5074]
Remark
Same as: C20380
ATC code: L04AA06
Chemical structure group: DG00739
Product (DG00739): D00752<JP/US> D05094<US> D05095<US>
Efficacy
Immunosuppressant, Inosine monophosphate dehydrogenase inhibitor
Target
IMPDH [HSA:3614 3615] [KO:K00088]
  Pathway
hsa00230  Purine metabolism
Interaction
Structure map
map07046  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
      D05096  Mycophenolic acid (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IMPDH
     D05096  Mycophenolic acid (USAN/INN)
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D05096
Prodrugs [br08324.html]
 D05096
Prodrugs [br08324.html]
 DG00739
Other DBs
CAS: 24280-93-1
PubChem: 47206821
ChEBI: 168396
PDB-CCD: MOA[PDBj]
LigandBox: D05096
NIKKAJI: J2.768E
LinkDB
KCF data

ATOM        23
            1   C8y C    30.8131  -17.7549
            2   C8y C    30.8073  -16.3449
            3   C8y C    29.6013  -18.4481
            4   C1x C    32.1474  -18.1860
            5   C8y C    29.6013  -15.6458
            6   C7x C    32.1414  -15.9136
            7   C8y C    28.3893  -17.7549
            8   C1a C    29.6013  -19.8523
            9   O7x O    32.9688  -17.0499
            10  C8y C    28.3893  -16.3449
            11  O1a O    29.6013  -14.2474
            12  O6a O    32.5785  -14.5795
            13  O2a O    27.1775  -18.4481
            14  C1b C    27.1775  -15.6458
            15  C1a C    27.1775  -19.8523
            16  C2b C    25.9658  -16.3392
            17  C2c C    24.7539  -15.6400
            18  C1b C    23.5477  -16.3332
            19  C1a C    24.7598  -14.2417
            20  C1b C    22.3360  -15.6341
            21  C6a C    21.1242  -16.3215
            22  O6a O    19.9123  -15.6284
            23  O6a O    21.1184  -17.7256
BOND        24
            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    6   9 1
            24    7  10 1

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