KEGG   DRUG: GavestinelHelp
Entry
D04308                      Drug                                   

Name
Gavestinel (USAN/INN)
Formula
C18H12Cl2N2O3
Exact mass
374.0225
Mol weight
375.2055
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01498  NMDA receptor antagonist
Efficacy
Stroke treatment, NMDA receptor antagonist
Comment
Treatment of stroke
Target
  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
  Ligand-gated ion channels
   Glutamate (ionotropic), NMDA
    GRIN (NMDAR)
     D04308  Gavestinel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 153436-22-7
PubChem: 47206237
ChEMBL: CHEMBL44793
LigandBox: D04308
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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