KEGG   DRUG: D09949Help
Entry
D09949                      Drug                                   

Name
Pomaglumetad methionil (USAN/INN)
Formula
C12H18N2O7S2. H2O
Exact mass
384.0661
Mol weight
384.4258
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of schizophrenia
Comment
prodrug
Target
metabotropic glutamate receptor 2/3 (mGlu2/3) agonist [HSA:2912 2913] [KO:K04605]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Glutamate (metabotropic)
    metabotropic glutamate receptor 2/3
     Pomaglumetad
      D09949  Pomaglumetad methionil (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
956385-05-0
PubChem: 
LigandBox: 
KCF data Show

ATOM        24
            1   O0  O    22.9600  -25.9700
            2   C1y C    15.4700  -21.7000
            3   C1y C    16.7300  -22.4000
            4   C1y C    16.7300  -21.0000
            5   C1z C    17.9900  -22.8900
            6   C1x C    18.8300  -21.7000
            7   S2x S    18.0600  -20.5800
            8   C6a C    14.0700  -21.7000
            9   O6a O    13.3700  -20.5100
            10  O6a O    13.3700  -22.8900
            11  N1b N    17.9900  -24.2900
            12  C6a C    19.1800  -23.5900
            13  O6a O    20.3700  -22.8900
            14  O6a O    19.1800  -24.9900
            15  C5a C    16.7776  -24.9900
            16  O5a O    15.5821  -24.2996
            17  C1c C    16.7775  -26.3898
            18  C1b C    15.5819  -27.0802
            19  N1a N    18.0068  -27.0997
            20  C1b C    14.3948  -26.3948
            21  S2a S    13.2034  -27.0828
            22  C1a C    12.0141  -26.3961
            23  O3c O    19.4600  -20.5800
            24  O3c O    18.0600  -19.1800
BOND        24
            1     2   3 1
            2     3   4 1
            3     4   2 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     4   7 1
            8     2   8 1 #Up
            9     8   9 1
            10    8  10 2
            11    5  11 1 #Down
            12    5  12 1 #Up
            13   12  13 1
            14   12  14 2
            15   11  15 1
            16   15  16 2
            17   15  17 1
            18   17  18 1
            19   17  19 1 #Up
            20   18  20 1
            21   20  21 1
            22   21  22 1
            23    7  23 2
            24    7  24 2

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