KEGG   DRUG: D04308Help
Entry
D04308                      Drug                                   

Name
Gavestinel (USAN/INN)
Formula
C18H12Cl2N2O3
Exact mass
374.0225
Mol weight
375.2055
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of stroke [N-methyl-D-aspartate (NMDA) receptor antagonist]
Target
N-methyl-D-aspartate receptor antagonist [HSA:2902 2903 2904 2905 2906] [KO:K05208 K05209 K05210 K05211 K05212]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04720  Long-term potentiation
hsa04724  Glutamatergic synapse  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Glutamate-gated cation channels
   Glutamate (ionotropic), NMDA
    N-methyl-D-aspartate receptor
     Gavestinel
      D04308  Gavestinel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
153436-22-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        25
            1   C8x C    27.0926  -18.4149
            2   C8y C    27.0926  -19.8153
            3   C8x C    28.3054  -20.5155
            4   C8y C    29.5183  -19.8153
            5   C8y C    29.5183  -18.4149
            6   C8y C    28.3054  -17.7146
            7   N4x N    30.8503  -20.2481
            8   C8y C    31.6734  -19.1151
            9   C8y C    30.8503  -17.9821
            10  C6a C    33.0446  -19.1151
            11  O6a O    33.7448  -20.3279
            12  O6a O    33.7448  -17.9023
            13  X   Cl   28.3054  -16.3144
            14  X   Cl   25.8798  -20.5155
            15  C2b C    30.8503  -16.5821
            16  C2b C    32.0739  -15.8754
            17  C5a C    32.0737  -14.4901
            18  O5a O    30.8509  -13.7843
            19  N1b N    33.2757  -13.7957
            20  C8y C    34.4664  -14.4830
            21  C8x C    34.4667  -15.8897
            22  C8x C    35.6793  -16.5895
            23  C8x C    36.8916  -15.8893
            24  C8x C    36.8913  -14.4825
            25  C8x C    35.6787  -13.7828
BOND        27
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   10  12 2
            14    6  13 1
            15    2  14 1
            16    9  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   17  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1

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