KEGG   DRUG: Quinupristin and dalfopristinHelp
Entry
D00854            Mixture   Drug                                   

Name
Quinupristin and dalfopristin;
Synercid (TN)
Product
Formula
C53H67N9O10S. C34H50N4O9S
Exact mass
1711.803
Mol weight
1713.0656
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Component
Quinupristin [DR:D00852], Dalfopristin [DR:D00853]
Class
Metabolizing enzyme inhibitor
 DG01522  CYP3A4 inhibitor
Remark
Same as: C08034
Therapeutic category: 6119
ATC code: J01FG02
Product: D00854<JP/US>
Efficacy
Antibacterial, Protein biosynthesis inhibitor
  Disease
Infections caused by Staphylococcus aureus, methicillin susceptible [DS:H01409]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FG Streptogramins
     J01FG02 Quinupristin/dalfopristin
      D00854  Quinupristin and dalfopristin <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   611  Acting mainly on gram-positive bacteria
    6119  Others
     D00854  Quinupristin and dalfopristin
Antiinfectives [br08350.html]
 Antibacterials
  D00854
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D00854
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00854
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00854
BRITE hierarchy
Other DBs
CAS: 126602-89-9
PubChem: 7847919
ChEBI: 8733
ChEMBL: CHEMBL3137691
LigandBox: D00854
NIKKAJI: J508.358C
LinkDB All DBs
KCF data Show

ATOM        121
            1   C1y C    40.5311  -14.7670
            2   N1y N    41.9225  -14.7730
            3   C1y C    40.1644  -16.1115
            4   C7a C    39.3204  -14.0742
            5   C5a C    43.1274  -13.9929
            6   C1x C    42.4172  -16.0010
            7   C1x C    41.3345  -16.8800
            8   S4a S    38.9479  -16.8102
            9   O7a O    38.1097  -14.7670
            10  O6a O    39.3147  -12.6714
            11  C8y C    44.3324  -14.7030
            12  O5a O    43.1216  -12.5958
            13  C1b C    38.9479  -18.2015
            14  O3c O    37.7312  -17.4971
            15  O3c O    38.9420  -15.4072
            16  C1c C    36.9105  -14.0742
            17  N5x N    45.4966  -13.9404
            18  C8x C    44.6874  -16.1175
            19  C1b C    37.7371  -18.8884
            20  C1c C    36.9105  -12.6773
            21  C1c C    35.6996  -14.7611
            22  C8y C    46.5737  -14.8192
            23  O2x O    46.0789  -16.1174
            24  N1c N    37.7371  -20.2853
            25  C2b C    38.1097  -11.9845
            26  C1a C    35.9091  -11.6818
            27  C1a C    35.6937  -16.1640
            28  C1a C    34.4830  -14.0625
            29  C1b C    48.0521  -14.2547
            30  C1b C    36.5262  -20.9839
            31  C1b C    38.9538  -20.9665
            32  C2b C    38.1097  -10.5933
            33  C5a C    48.4073  -12.9042
            34  C1a C    35.3212  -20.2853
            35  C1a C    40.1587  -20.2622
            36  C5a C    39.3204   -9.8948
            37  C1b C    47.4235  -11.9146
            38  O5a O    49.7578  -12.5317
            39  N1b N    40.5311  -10.5817
            40  O5a O    39.3147   -8.4918
            41  C1c C    47.7844  -10.5641
            42  C1b C    41.7420   -9.8889
            43  C2b C    46.5737   -9.8715
            44  O1a O    49.0767  -10.0287
            45  C2b C    42.9527  -10.5758
            46  C2c C    45.3686  -10.5700
            47  C2b C    44.1577   -9.8832
            48  C1a C    45.3627  -11.9672
            49  N1y N    22.5683  -16.9222
            50  C1y C    22.5683  -18.2214
            51  C5x C    23.7991  -16.2383
            52  C1x C    21.4058  -16.2383
            53  C5x C    23.7307  -18.9052
            54  C1x C    21.4058  -18.9052
            55  C1y C    20.2434  -16.9222
            56  N1x N    24.9616  -18.2214
            57  O5x O    23.7307  -20.2728
            58  C5x C    20.2434  -18.2214
            59  C1b C    19.0808  -16.2383
            60  C1y C    26.1240  -18.9052
            61  O5x O    19.0808  -18.9052
            62  S2a S    17.9184  -16.9222
            63  C8y C    26.1240  -20.2728
            64  C7x C    27.2865  -18.2214
            65  C1y C    16.7559  -16.2383
            66  C8x C    24.9616  -20.9566
            67  C8x C    27.2865  -20.9566
            68  O7x O    28.4491  -18.9052
            69  O6a O    27.2865  -16.8538
            70  C1y C    15.5934  -16.9222
            71  C1x C    16.7559  -14.8707
            72  C8x C    24.9616  -22.3242
            73  C8x C    27.2865  -22.2558
            74  C1y C    29.6115  -18.2214
            75  C1x C    14.9096  -15.7596
            76  C1x C    14.4310  -16.2383
            77  N1y N    15.5934  -14.1869
            78  C8x C    26.1240  -22.9396
            79  C1y C    30.7740  -18.9052
            80  C1x C    16.2772  -15.3493
            81  C1x C    14.4310  -14.8707
            82  N1b N    30.8424  -21.5036
            83  C5a C    32.0048  -22.1874
            84  C8y C    32.0048  -23.4866
            85  O5a O    33.1673  -21.5036
            86  C8y C    33.1673  -24.1704
            87  N5x N    30.8424  -24.1704
            88  C8x C    33.1673  -25.5381
            89  O1a O    34.3297  -23.4866
            90  C8x C    30.8424  -25.5381
            91  C8x C    32.0048  -26.2219
            92  C1y C    23.7991  -14.8707
            93  O5x O    24.9616  -16.9222
            94  N1y N    24.9616  -14.1185
            95  C1b C    22.5683  -14.2552
            96  C8y C    22.5683  -12.8876
            97  C8x C    23.7307  -12.1355
            98  C8x C    23.7307  -10.7679
            99  C8y C    22.4999  -10.1524
            100 C8x C    21.3375  -10.8362
            101 C8x C    21.3375  -12.2038
            102 N1c N    22.4999   -8.7848
            103 C1a C    23.7307   -8.1694
            104 C1a C    21.3375   -8.0327
            105 C5x C    26.1240  -14.8023
            106 C1a C    24.9616  -12.7509
            107 O5x O    26.1240  -16.1699
            108 C5x C    31.9364  -18.2214
            109 N1x N    31.9364  -16.8538
            110 O5x O    33.0989  -18.9052
            111 C1a C    29.6115  -20.1360
            112 C1y C    30.7740  -16.1699
            113 C5x C    30.7740  -14.8023
            114 C1b C    29.5431  -16.8538
            115 C1a C    28.5174  -15.7596
            116 O5x O    31.9364  -14.1185
            117 N1y N    29.2012  -13.5031
            118 C1y C    27.8335  -13.5031
            119 C1x C    29.6115  -12.2038
            120 C1x C    28.5174  -11.3833
            121 C1x C    27.4233  -12.2038
BOND        130
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    8  13 1
            13    8  14 2
            14    8  15 2
            15    9  16 1
            16   11  17 1
            17   11  18 2
            18   13  19 1
            19   16  20 1
            20   16  21 1 #Down
            21   17  22 2
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   20  26 1 #Down
            26   21  27 1
            27   21  28 1
            28   22  29 1
            29   24  30 1
            30   24  31 1
            31   25  32 2
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   33  38 2
            38   36  39 1
            39   36  40 2
            40   37  41 1
            41   39  42 1
            42   41  43 1
            43   41  44 1 #Up
            44   42  45 1
            45   43  46 2
            46   45  47 2
            47   46  48 1
            48    6   7 1
            49   22  23 1
            50   46  47 1
            51   49  50 1
            52   49  51 1
            53   49  52 1
            54   50  53 1
            55   50  54 1
            56   52  55 1
            57   53  56 1
            58   53  57 2
            59   54  58 1
            60   55  59 1
            61   56  60 1
            62   58  61 2
            63   59  62 1
            64   60  63 1 #Down
            65   60  64 1
            66   65  62 1 #Up
            67   63  66 2
            68   63  67 1
            69   64  68 1
            70   64  69 2
            71   65  70 1
            72   65  71 1
            73   66  72 1
            74   67  73 2
            75   68  74 1
            76   70  75 1
            77   70  76 1
            78   71  77 1
            79   72  78 2
            80   74  79 1
            81   75  80 1
            82   76  81 1
            83   79  82 1 #Up
            84   82  83 1
            85   83  84 1
            86   83  85 2
            87   84  86 1
            88   84  87 2
            89   86  88 2
            90   86  89 1
            91   87  90 1
            92   88  91 1
            93   55  58 1
            94   73  78 1
            95   77  80 1
            96   77  81 1
            97   90  91 2
            98   51  92 1
            99   51  93 2
            100  92  94 1
            101  92  95 1 #Down
            102  95  96 1
            103  96  97 2
            104  97  98 1
            105  98  99 2
            106  99 100 1
            107 100 101 2
            108  96 101 1
            109  99 102 1
            110 102 103 1
            111 102 104 1
            112  94 105 1
            113  94 106 1
            114 105 107 2
            115  79 108 1
            116 108 109 1
            117 108 110 2
            118  74 111 1 #Down
            119 109 112 1
            120 112 113 1
            121 112 114 1 #Down
            122 114 115 1
            123 113 116 2
            124 118 117 1
            125 117 119 1
            126 119 120 1
            127 120 121 1
            128 118 121 1
            129 105 118 1
            130 117 113 1

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