KEGG   DRUG: Trimethoprim lactateHelp
Entry
D08644                      Drug                                   

Name
Trimethoprim lactate;
Wellcoprim (TN)
Formula
C14H18N4O3. C3H6O3
Exact mass
380.1696
Mol weight
380.3957
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01581  Trimethoprim antibacterial
 DG01931  Dihydrofolate reductase inhibitor, antibacterial
Metabolizing enzyme inhibitor
 DG01641  CYP2C8 inhibitor
Remark
ATC code: J01EA01
Chemical structure group: DG00595
Product (DG00595): D00145<US> D11085<US>
Product (mixture): D11086<US>
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Target
dihydrofolate reductase [KO:K13938]
  Pathway
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis
Interaction
CYP inhibition: CYP2C8 [HSA:1558]
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
     J01EA01 Trimethoprim
      D08644  Trimethoprim lactate
BRITE hierarchy
Other DBs
CAS: 23256-42-0
PubChem: 96025327
ChEMBL: CHEMBL1430611
LigandBox: D08644
NIKKAJI: J321.184C
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    20.0900  -18.9700
            2   C1b C    21.2800  -19.6700
            3   C8x C    18.9000  -19.6700
            4   C8x C    20.0900  -17.5700
            5   C8y C    22.4700  -18.9700
            6   C8y C    17.6400  -18.9700
            7   C8y C    18.9000  -16.8700
            8   C8y C    23.7300  -19.6700
            9   C8x C    22.4700  -17.5000
            10  C8y C    17.6400  -17.5700
            11  O2a O    16.4500  -19.6700
            12  O2a O    18.9000  -15.4700
            13  N5x N    24.9200  -18.9700
            14  N1a N    23.7300  -21.0700
            15  N5x N    23.7300  -16.8000
            16  O2a O    16.4500  -16.9400
            17  C1a C    15.2600  -18.9000
            18  C1a C    20.0900  -14.7700
            19  C8y C    24.9200  -17.5000
            20  C1a C    16.4500  -15.4700
            21  N1a N    26.1100  -16.8000
            22  O1a O    30.8700  -17.7800
            23  C1c C    32.0824  -18.4800
            24  C6a C    33.2949  -17.7800
            25  O6a O    34.5073  -18.4800
            26  C1a C    32.0824  -19.8798
            27  O6a O    33.2949  -16.3802
BOND        27
            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    7  12 1
            12    8  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   16  20 1
            20   19  21 1
            21    7  10 2
            22   15  19 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   23  26 1
            27   24  27 2

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