KEGG   DRUG: Iclaprim mesylateHelp
Entry
D08563                      Drug                                   

Name
Iclaprim mesylate (USAN)
Formula
C19H22N4O3. CH4SO3
Exact mass
450.1573
Mol weight
450.5086
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01581  Trimethoprim antibacterial
Remark
ATC code: 
Chemical group: 
Activity
Antibacterial, Folic acid biosynthesis inhibitor
Comment
Trimethoprims
Target
dihydrofolate reductase [KO:K13938]
  Pathway
One carbon pool by folate
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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