KEGG   DRUG: D10419Help
Entry
D10419                      Drug                                   

Name
Cindunistat hydrochloride maleate (USAN)
Formula
(C8H17N3O2S)2. C4H4O4. HCl
Exact mass
590.1959
Mol weight
591.1421
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Disease modifying osteoarthritis drug
Remark
Drug group: 
Target
inducible nitric oxide synthase (iNOS) inhibitor [HSA:4843] [KO:K13241]
  Pathway
hsa04020  Calcium signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   inducible nitric oxide synthase (iNOS)
    Cindunistat
     D10419  Cindunistat hydrochloride maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 
753491-31-5
PubChem: 
KCF data Show

ATOM        37
            1   C1a C    13.4400  -15.8900
            2   C2c C    14.5600  -15.1900
            3   N1b N    15.7500  -15.8900
            4   C1b C    16.9400  -15.1900
            5   C1b C    18.1300  -15.8900
            6   S2a S    19.3200  -15.1900
            7   C1b C    20.5100  -15.8900
            8   C1d C    21.7000  -15.1900
            9   C6a C    22.8900  -15.8900
            10  O6a O    24.0800  -15.1900
            11  N2a N    14.5600  -13.8600
            12  N1a N    22.8900  -14.1400
            13  C1a C    20.5100  -14.2100
            14  O6a O    22.8900  -17.2900
            15  C2b C    33.4600  -15.9600
            16  C2b C    31.8500  -15.9600
            17  C6a C    34.1600  -17.1500
            18  C6a C    31.1500  -17.1500
            19  O6a O    33.4600  -18.3400
            20  O6a O    35.4900  -17.1500
            21  O6a O    29.8200  -17.1500
            22  O6a O    31.8500  -18.3400
            23  X   Cl   32.6200  -12.3900
            24  C1a C    13.4400  -15.8900
            25  C2c C    14.5600  -15.1900
            26  N1b N    15.7500  -15.8900
            27  C1b C    16.9400  -15.1900
            28  C1b C    18.1300  -15.8900
            29  S2a S    19.3200  -15.1900
            30  C1b C    20.5100  -15.8900
            31  C1d C    21.7000  -15.1900
            32  C6a C    22.8900  -15.8900
            33  O6a O    24.0800  -15.1900
            34  O6a O    22.8900  -17.2900
            35  N1a N    22.8900  -14.1400
            36  C1a C    20.5100  -14.2100
            37  N2a N    14.5600  -13.8600
BOND        33
            1    15  16 2
            2    15  17 1
            3    16  18 1
            4    17  19 1
            5    17  20 2
            6    18  21 1
            7    18  22 2
            8     1   2 1
            9     2   3 1
            10    3   4 1
            11    4   5 1
            12    5   6 1
            13    6   7 1
            14    7   8 1
            15    8   9 1
            16    9  10 1
            17    2  11 2
            18    8  12 1 #Down
            19    8  13 1 #Up
            20    9  14 2
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  28 1
            25   28  29 1
            26   29  30 1
            27   30  31 1
            28   31  32 1
            29   32  33 1
            30   25  37 2
            31   31  35 1 #Down
            32   31  36 1 #Up
            33   32  34 2
BRACKET     1    11.8300  -18.7600   11.8300  -10.0800
            1    26.2500  -10.0800   26.2500  -18.7600
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  14  12  13  11
 REPEAT    1   24  25  26  27  28  29  30  31  32  33  34  35  36  37

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