KEGG   DRUG: D06204Help
Entry
D06204                      Drug                                   

Name
Traxoprodil mesylate (USAN);
Traxoprodil mesylate hydrate
Formula
C20H25NO3. CH4SO3. 3H2O
Exact mass
477.2033
Mol weight
477.5689
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of traumatic brain injury [highly selectve NR21 NMDA receptor antagonist]
Target
N-methyl-D-aspartate receptor (NMDA) NR2B-selective antagonist [HSA:2904] [KO:K05210]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04720  Long-term potentiation
hsa04724  Glutamatergic synapse  
 
Structure map
N-Metyl-D-aspartic acid receptor antagonists
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate 2B receptor
     Traxoprodil
      D06204  Traxoprodil mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
189894-57-3
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8x C    18.5624  -19.3486
            2   C8y C    18.5624  -20.7510
            3   C8x C    19.7768  -21.4521
            4   C8x C    20.9914  -20.7510
            5   C8y C    20.9914  -19.3486
            6   C8x C    19.7768  -18.6474
            7   O1a O    17.3479  -21.4521
            8   C1c C    22.2246  -18.6363
            9   C1c C    23.4319  -19.3332
            10  O1a O    22.2243  -17.2451
            11  N1y N    24.6162  -18.6493
            12  C1a C    23.4323  -20.7505
            13  C1x C    25.8123  -19.3397
            14  C1x C    27.0267  -18.6385
            15  C1z C    27.0267  -17.2361
            16  C1x C    25.8308  -16.5457
            17  C1x C    24.6162  -17.2469
            18  C8y C    28.2523  -16.5283
            19  O1a O    27.0267  -15.8337
            20  C8x C    29.4634  -17.2274
            21  C8x C    30.6779  -16.5261
            22  C8x C    30.6778  -15.1237
            23  C8x C    29.4667  -14.4247
            24  C8x C    28.2522  -15.1259
            25  O1d O    32.5035  -18.4603
            26  S4a S    32.5035  -19.8587
            27  C1a C    31.1053  -19.8587
            28  O1d O    33.9019  -19.8587
            29  O1d O    32.5035  -21.2570
            30  O0  O    33.8100  -15.8900
            31  O0  O    33.8100  -15.8900
            32  O0  O    33.8100  -15.8900
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1 #Down
            11    9  11 1
            12    9  12 1 #Up
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   11  17 1
            19   15  18 1
            20   15  19 1
            21   18  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   18  24 1
            27   25  26 2
            28   26  27 1
            29   26  28 1
            30   26  29 2
BRACKET     1    31.7100  -16.8000   31.7100  -14.9800
            1    34.4400  -14.9800   34.4400  -16.8000
            1  3
 ORIGINAL  1   30
 REPEAT    1   31  32

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