KEGG   DRUG: PhthalylsulfathiazoleHelp
Entry
D02440                      Drug                                   

Name
Phthalylsulfathiazole (INN)
Formula
C17H13N3O5S2
Exact mass
403.0297
Mol weight
403.4322
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01787  Sulfonamide antibacterial
  DG01784  Short-acting sulfonamide
Remark
Same as: C07659
ATC code: A07AB02
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Comment
Sulfonamide
Active form of prodrug: Sulfathiazole [DR:D01047]
Target
dihydropteroate synthase [KO:K00796]
  Pathway
ko00790  Folate biosynthesis
Interaction
Drug interaction
Structure map
map07016  Sulfonamide derivatives - sulfa drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AB Sulfonamides
     A07AB02 Phthalylsulfathiazole
      D02440  Phthalylsulfathiazole (INN)
Prodrugs [br08324.html]
 D02440
BRITE hierarchy
Other DBs
CAS: 85-73-4
PubChem: 7849498
ChEBI: 9336
ChEMBL: CHEMBL1524273
LigandBox: D02440
NIKKAJI: J4.923I
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    13.8858  -17.1670
            2   C8y C    12.6246  -16.4663
            3   C5a C    15.0770  -16.4663
            4   C8x C    13.8858  -18.5683
            5   C8x C    11.4335  -17.1670
            6   C6a C    12.6246  -15.0650
            7   N1b N    16.2681  -17.1670
            8   O5a O    15.0770  -15.0650
            9   C8x C    12.6246  -19.2690
            10  C8x C    11.4335  -18.5683
            11  O6a O    13.8858  -14.3643
            12  C8y C    17.5293  -16.4663
            13  C8x C    17.5293  -15.0650
            14  C8x C    18.7204  -17.1670
            15  C8x C    18.7204  -14.4344
            16  C8x C    19.9115  -16.5364
            17  C8y C    19.9115  -15.1351
            18  S4a S    21.1727  -14.4344
            19  N1b N    22.3638  -15.1351
            20  O3c O    20.1217  -13.4535
            21  O3c O    22.3638  -13.7337
            22  C8y C    23.5550  -14.4344
            23  O6a O    11.4169  -14.3543
            24  S2x S    24.6854  -15.2625
            25  C8x C    25.8223  -14.4431
            26  C8x C    25.3945  -13.1088
            27  N5x N    23.9932  -13.1033
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 2
            17   17  18 1
            18   18  19 1
            19   18  20 2
            20   18  21 2
            21   19  22 1
            22    9  10 1
            23   16  17 1
            24    6  23 1
            25   22  24 1
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   22  27 2

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