KEGG   DRUG: D08563Help
Entry
D08563                      Drug                                   

Name
Iclaprim mesylate (USAN)
Formula
C19H22N4O3. CH4SO3
Exact mass
450.1573
Mol weight
450.5086
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiinfective
Remark
ATC code: 
Drug group: 
Target
dihydrofolate reductase inhibitor [KO:K13938]
  Pathway
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01E SULFONAMIDES AND TRIMETHOPRIM
    J01EA Trimethoprim and derivatives
     J01EA03 Iclaprim
      D08563  Iclaprim mesylate (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   dihydrofolate reductase inhibitor
    Trimethoprim derivatives
     Iclaprim
      D08563  Iclaprim mesylate (USAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        31
            1   C8y C    23.0300  -25.2000
            2   C1b C    24.2200  -25.9000
            3   C8x C    21.8400  -25.9000
            4   C8y C    23.0300  -23.8000
            5   C8y C    25.4100  -25.2000
            6   C8y C    20.5800  -25.2000
            7   C8y C    21.8400  -23.1000
            8   C8y C    26.6700  -25.9000
            9   C8x C    25.4100  -23.7300
            10  C8y C    20.5800  -23.8000
            11  O2a O    19.3900  -25.9000
            12  N5x N    27.8600  -25.2000
            13  N1a N    26.6700  -27.3000
            14  N5x N    26.6700  -23.0300
            15  O2a O    19.3900  -23.1700
            16  C1a C    18.2000  -25.1300
            17  C8y C    27.8600  -23.7300
            18  C1a C    19.3900  -21.7000
            19  N1a N    29.0500  -23.0300
            20  C2x C    24.2200  -23.1000
            21  C2x C    24.2200  -21.7000
            22  C1y C    23.1000  -21.0000
            23  O2x O    21.8400  -21.7000
            24  C1y C    23.1000  -19.6000
            25  C1x C    23.8700  -18.4100
            26  C1x C    22.4700  -18.4100
            27  S4a S    34.2300  -23.6600
            28  O1d O    34.2197  -25.0600
            29  O1d O    34.2449  -22.2626
            30  C1a C    32.8301  -23.6474
            31  O1d O    35.6299  -23.6726
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    8  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 1
            16   12  17 2
            17   15  18 1
            18   17  19 1
            19    7  10 2
            20   14  17 1
            21    4  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25    7  23 1
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  24 1
            30   27  28 2
            31   27  29 2
            32   27  30 1
            33   27  31 1

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