KEGG   DRUG: Merimepodib
Entry
D04936                      Drug                                   

Name
Merimepodib (USAN/INN)
Formula
C23H24N4O6
Exact mass
452.1696
Mol weight
452.4599
Structure
Efficacy
Antiparasitic, Antiviral, Immunosuppressant, Inosine monophosphate dehydrogenase inhibitor
Comment
Inhibition of inosine monophosphate dehydrogenase (IMPDH), which has potential antiviral, antiproliferative, antiparasitic, and immunosuppressive activity
Target
IMPDH [HSA:3614 3615] [KO:K00088]
  Pathway
hsa00230  Purine metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IMPDH
     D04936  Merimepodib (USAN/INN)
Other DBs
CAS: 198821-22-6
PubChem: 47206686
ChEMBL: CHEMBL304087
LigandBox: D04936
LinkDB
KCF data

ATOM        33
            1   C8y C    35.0000  -24.0800
            2   C8y C    35.0000  -25.4800
            3   C8x C    36.1900  -26.1800
            4   C8x C    37.3800  -25.4800
            5   C8y C    37.3800  -24.0800
            6   C8x C    36.1900  -23.3800
            7   O5a O    39.8300  -25.4800
            8   C5a C    39.8300  -24.0800
            9   N1b N    38.6400  -23.3800
            10  C8y C    42.2800  -24.0800
            11  N1b N    41.0200  -23.3800
            12  O2a O    33.7400  -23.3800
            13  C1a C    32.5500  -24.0800
            14  C8y C    33.7400  -26.1800
            15  O2x O    32.4100  -25.7600
            16  C8x C    31.6400  -26.8800
            17  N5x N    32.4100  -28.0000
            18  C8x C    33.7400  -27.5800
            19  C8x C    42.2800  -25.4800
            20  C8x C    43.4700  -26.1800
            21  C8x C    44.6600  -25.4800
            22  C8y C    44.6600  -24.0800
            23  C8x C    43.4700  -23.3800
            24  C1b C    45.8500  -23.3800
            25  N1b N    47.1100  -24.0800
            26  C7a C    48.3000  -23.3800
            27  O7a O    49.4900  -24.0800
            28  O6a O    48.3000  -21.9800
            29  C1y C    50.6800  -23.3800
            30  C1x C    51.9400  -23.9400
            31  O2x O    52.8500  -22.9600
            32  C1x C    52.2200  -21.7700
            33  C1x C    50.8200  -22.0500
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     5   9 1
            10   10  11 1
            11    8  11 1
            12    1  12 1
            13   12  13 1
            14    2  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   14  18 2
            20   10  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   10  23 1
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2
            31   29  27 1 #Up
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   29  33 1

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