KEGG   DRUG: Cindunistat hydrochloride maleate
Entry
D10419                      Drug                                   
Name
Cindunistat hydrochloride maleate (USAN)
Formula
(C8H17N3O2S)2. C4H4O4. HCl
Exact mass
590.1959
Mol weight
591.15
Structure
Remark
Chemical structure group: DG01391
Efficacy
Anti-inflammatory, Inducible nitric oxide synthase inhibitor
Comment
Inducible nitric oxide synthase inhibitor
Disease modifying osteoarthritis drug
Target
NOS2 [HSA:4843] [KO:K13241]
  Pathway
hsa04066  HIF-1 signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Nitic oxide synthase
    NOS2
     D10419  Cindunistat hydrochloride maleate (USAN)
Other DBs
CAS: 753491-31-5
PubChem: 172232512
LinkDB
KCF data

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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