KEGG   DRUG: Traxoprodil mesylateHelp
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
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Activity
Treatment of traumatic brain injury [highly selectve NR21 NMDA receptor antagonist]
Target
GRIN2B (NMDAR2B) [HSA:2904] [KO:K05210]
  Pathway
Neuroactive ligand-receptor interaction
Long-term potentiation
Glutamatergic synapse
Interaction
Drug interaction
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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