KEGG   COMPOUND: C11154
Entry
C11154                      Compound                               

Name
Trimetrexate
Formula
C19H23N5O3
Exact mass
369.1801
Mol weight
369.4176
Structure
Remark
Same as: D06238
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01A AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
    P01AX Other agents against amoebiasis and other protozoal diseases
     P01AX07 Trimetrexate
      D06238  Trimetrexate (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dihydrofolate reductase
    DHFR
     D06238  Trimetrexate (USAN/INN)
Other DBs
CAS: 52128-35-5
PubChem: 13336
ChEBI: 9737
ChEMBL: CHEMBL119
PDB-CCD: TMQ[PDBj]
NIKKAJI: J22.060D
LinkDB
KCF data

ATOM        27
            1   C8y C    31.9900  -19.0400
            2   N1b N    30.8000  -18.3400
            3   C8x C    33.2500  -18.3400
            4   C8x C    31.9900  -20.4400
            5   C1b C    29.6100  -19.0400
            6   C8y C    34.4400  -19.0400
            7   C8y C    33.2500  -21.1400
            8   C8y C    34.4400  -20.4400
            9   O2a O    35.6300  -18.3400
            10  O2a O    33.2500  -22.5400
            11  O2a O    35.6300  -21.0700
            12  C1a C    36.8200  -19.0400
            13  C1a C    32.0600  -23.2400
            14  C1a C    35.6300  -22.5400
            15  C8y C    28.4200  -18.3400
            16  C8x C    28.4200  -16.9400
            17  C8x C    27.1600  -16.3100
            18  C8y C    25.9700  -17.0100
            19  C8y C    25.9700  -18.3400
            20  C8y C    27.1600  -19.0400
            21  N5x N    24.7100  -16.3100
            22  C8y C    23.5200  -17.0100
            23  N5x N    23.5200  -18.3400
            24  C8y C    24.7800  -19.0400
            25  C1a C    27.1600  -20.5100
            26  N1a N    24.7800  -20.5100
            27  N1a N    22.3300  -16.3100
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     6   8 1
            8     6   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14    7   8 2
            15    5  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   18  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   20  25 1
            28   24  26 1
            29   22  27 1

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