KEGG   DRUG: Pesampator
Entry
D12239                      Drug                                   
Name
Pesampator (USAN)
Formula
C18H20N2O4S2
Exact mass
392.0864
Mol weight
392.4924
Structure
Efficacy
Antipsychotic, Anti-cognitive impairment agent, AMPA receptor allosteric modulator
Comment
Treatment of cognitive impairment associated with schizophrenia
Target
GRIA [HSA:2890 2891 2892 2893] [KO:K05197 K05198 K05199 K05200]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), non-NMDA
    GRIA
     D12239  Pesampator (USAN)
Other DBs
CAS: 1258963-59-5
PDB-CCD: XPF[PDBj]
LinkDB
KCF data

ATOM        26
            1   C1y C     8.2600  -18.8300
            2   C1x C     8.6800  -20.1600
            3   O2x O    10.0800  -20.1600
            4   C1x C    10.5000  -18.8300
            5   C1y C     9.3800  -17.9900
            6   N1b N     7.0700  -18.1300
            7   S4a S     5.8800  -18.8300
            8   C1c C     4.6676  -19.5300
            9   C1a C     3.4721  -18.8396
            10  C1a C     4.6675  -20.9298
            11  O3c O     5.1800  -17.6176
            12  O3c O     6.5800  -20.0424
            13  O2a O     9.3800  -16.5900
            14  C8y C    10.5924  -15.8900
            15  C8x C    11.7879  -16.5804
            16  C8x C    13.0004  -15.8805
            17  C8y C    13.0006  -14.4805
            18  C8x C    11.8051  -13.7901
            19  C8x C    10.5926  -14.4900
            20  C8y C    14.2234  -13.7746
            21  S2x S    15.5474  -14.2039
            22  C8y C    16.3667  -13.0761
            23  C8x C    15.5472  -11.9484
            24  C8x C    14.2216  -12.3793
            25  C3b C    17.7799  -13.0758
            26  N3a N    19.1799  -13.0758
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1
            11    7  11 2
            12    7  12 2
            13    5  13 1 #Down
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   20  24 2
            27   22  25 1
            28   25  26 3

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