KEGG   DRUG: Iclaprim
Entry
D08337                      Drug                                   
Name
Iclaprim (USAN/INN)
Formula
C19H22N4O3
Exact mass
354.1692
Mol weight
354.40
Structure
Simcomp
Class
Antibacterial
 DG01581  Trimethoprim antibacterial
Remark
ATC code: J01EA03
Chemical structure group: DG00596
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydrofolate reductase [KO:K13938]
  Pathway
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis
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
      D08337  Iclaprim (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01581  Trimethoprim antibacterial
   DG00596  Iclaprim
    D08337  Iclaprim
Antimicrobials [BR:br08307]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Trimethoprim
    D08337  Iclaprim (USAN/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01581  Trimethoprim antibacterial
   DG00596  Iclaprim
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Folic acid biosynthesis inhibitor
   Trimethoprim
    DG00596  Iclaprim
Other DBs
CAS: 192314-93-5
PubChem: 96025024
ChEBI: 131724
LigandBox: D08337
LinkDB
KCF data

ATOM        26
            1   C8y C    23.0300  -23.8700
            2   C1b C    24.2200  -24.5700
            3   C8x C    21.8400  -24.5700
            4   C8y C    23.0300  -22.4700
            5   C8y C    25.4100  -23.8700
            6   C8y C    20.5800  -23.8700
            7   C8y C    21.8400  -21.7700
            8   C8y C    26.6700  -24.5700
            9   C8x C    25.4100  -22.4000
            10  C8y C    20.5800  -22.4700
            11  O2a O    19.3900  -24.5700
            12  N5x N    27.8600  -23.8700
            13  N1a N    26.6700  -25.9700
            14  N5x N    26.6700  -21.7000
            15  O2a O    19.3900  -21.8400
            16  C1a C    18.2000  -23.8000
            17  C8y C    27.8600  -22.4000
            18  C1a C    19.3900  -20.3700
            19  N1a N    29.0500  -21.7000
            20  C2x C    24.2200  -21.7700
            21  C2x C    24.2200  -20.3700
            22  C1y C    23.1000  -19.6700
            23  O2x O    21.8400  -20.3700
            24  C1y C    23.1000  -18.2700
            25  C1x C    23.8298  -17.0753
            26  C1x C    22.4494  -17.0523
BOND        29
            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

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