KEGG   DRUG: Voclosporin
Entry
D09033                      Drug                                   

Name
Voclosporin (USAN/INN);
Lupkynis (TN)
Product
Formula
C63H111N11O12
Exact mass
1213.8414
Mol weight
1214.6219
Structure
Simcomp
Remark
ATC code: L04AD03
Product: D09033<US>
Efficacy
Immunosuppressant, Calcineurin inhibitor
  Disease
Lupus nephritis [DS:H01500]
Comment
Cyclosporine [DR:D00184] analog
Target
PPP3C/PPP3R/CHP [HSA:5530 5532 5533 5534 5535 11261 63928] [KO:K04348 K06268 K17610 K17611]
  Pathway
hsa04010  MAPK signaling pathway
hsa04218  Cellular senescence
hsa04380  Osteoclast differentiation
hsa04650  Natural killer cell mediated cytotoxicity
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
hsa04660  T cell receptor signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AD Calcineurin inhibitors
     L04AD03 Voclosporin
      D09033  Voclosporin (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphatases
    PPP3C/PPP3R/CHP
     D09033  Voclosporin (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09033
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09033
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09033
Other DBs
CAS: 515814-01-4
PubChem: 96025716
LigandBox: D09033
LinkDB
KCF data

ATOM        86
            1   C1c C    28.3500  -15.1200
            2   N1c N    27.3000  -15.7500
            3   C5a C    29.4700  -15.7500
            4   C1c C    28.3500  -13.8600
            5   C5a C    26.1800  -15.1200
            6   C1a C    27.3000  -17.0100
            7   N1b N    30.5900  -15.1200
            8   O5a O    29.4700  -17.0100
            9   C1c C    29.4700  -13.2300
            10  O1a O    27.3000  -13.2300
            11  C1c C    25.1300  -15.7500
            12  O5a O    26.1800  -13.8600
            13  C1c C    31.6400  -15.7500
            14  C1a C    30.5900  -13.8600
            15  N1c N    24.0100  -15.1200
            16  C1c C    25.1300  -17.4300
            17  C5a C    32.7600  -15.1200
            18  C1b C    31.6400  -17.0100
            19  C5a C    22.8900  -15.7500
            20  C1a C    24.0100  -13.8600
            21  C1a C    24.0800  -18.0600
            22  C1a C    26.2500  -18.0600
            23  N1c N    33.8100  -15.7500
            24  O5a O    32.7600  -13.8600
            25  C1c C    21.8400  -15.1200
            26  O5a O    22.8900  -17.0100
            27  C1b C    33.8100  -17.0100
            28  C1a C    34.9300  -15.1200
            29  N1c N    20.7200  -15.7500
            30  C1b C    21.8400  -13.8600
            31  C5a C    34.9300  -17.6400
            32  C5a C    20.7200  -19.1100
            33  C1a C    19.4600  -15.7500
            34  C1c C    20.7200  -13.2300
            35  N1c N    34.9300  -19.2500
            36  O5a O    36.0500  -17.0100
            37  C1c C    19.6700  -20.9300
            38  C1a C    20.7200  -11.9700
            39  C1a C    19.6700  -13.8600
            40  C1c C    34.9300  -22.1900
            41  C1a C    36.1900  -19.2500
            42  N1c N    19.6700  -22.1900
            43  C1b C    18.5500  -20.3000
            44  C5a C    33.8100  -22.8200
            45  C1b C    36.0500  -22.8200
            46  C5a C    20.7200  -22.8200
            47  C1a C    18.5500  -22.8200
            48  C1c C    17.4300  -20.9300
            49  N1b N    32.7600  -22.1900
            50  O5a O    33.8100  -24.0800
            51  C1c C    37.1000  -22.1900
            52  C1c C    21.8400  -22.1900
            53  O5a O    20.7200  -24.0800
            54  C1a C    16.3800  -20.3000
            55  C1c C    31.6400  -22.8200
            56  C1a C    38.2200  -22.8200
            57  C1a C    37.1000  -20.9300
            58  N1b N    22.8900  -22.8200
            59  C1a C    21.8400  -21.0000
            60  C5a C    30.5900  -22.1900
            61  C1c C    31.6400  -24.5000
            62  C5a C    24.0100  -22.1900
            63  N1c N    29.4700  -22.8200
            64  O5a O    30.5900  -20.9300
            65  C1a C    30.5200  -25.4100
            66  C1a C    32.7600  -25.3400
            67  C1c C    25.1300  -22.8200
            68  O5a O    24.0100  -20.9300
            69  C1c C    28.3500  -22.1900
            70  C1a C    29.4700  -24.0800
            71  N1b N    26.1800  -22.1900
            72  C1a C    25.1300  -24.0800
            73  C5a C    27.3000  -22.8200
            74  C1b C    28.3500  -19.8800
            75  O5a O    27.3000  -24.0800
            76  C1c C    29.4700  -19.2500
            77  C1a C    29.4700  -17.9900
            78  C1a C    30.5900  -19.8800
            79  C1a C    32.8300  -17.7100
            80  C1a C    17.4300  -22.3300
            81  O5a O    21.9100  -19.8100
            82  C1b C    29.4700  -11.8300
            83  C2b C    30.6600  -11.1300
            84  C2b C    31.8500  -11.8300
            85  C2b C    33.0400  -11.1300
            86  C2a C    34.2581  -11.8201
BOND        86
            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 2
            8     4   9 1
            9     4  10 1 #Down
            10    5  11 1
            11    5  12 2
            12    7  13 1
            13    9  14 1 #Up
            14   11  15 1
            15   11  16 1 #Down
            16   13  17 1
            17   13  18 1 #Down
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 1
            22   17  23 1
            23   17  24 2
            24   19  25 1
            25   19  26 2
            26   23  27 1
            27   23  28 1
            28   25  29 1
            29   25  30 1 #Up
            30   27  31 1
            31   29  32 1
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   31  36 2
            36   34  38 1
            37   34  39 1
            38   35  40 1
            39   35  41 1
            40   37  42 1
            41   37  43 1 #Up
            42   40  44 1
            43   40  45 1 #Up
            44   42  46 1
            45   42  47 1
            46   43  48 1
            47   44  49 1
            48   44  50 2
            49   45  51 1
            50   46  52 1
            51   46  53 2
            52   48  54 1
            53   49  55 1
            54   51  56 1
            55   51  57 1
            56   52  58 1
            57   52  59 1 #Up
            58   55  60 1
            59   55  61 1 #Up
            60   58  62 1
            61   60  63 1
            62   60  64 2
            63   61  65 1
            64   61  66 1
            65   62  67 1
            66   62  68 2
            67   63  69 1
            68   63  70 1
            69   67  71 1
            70   67  72 1 #Up
            71   69  73 1
            72   69  74 1 #Down
            73   73  75 2
            74   74  76 1
            75   76  77 1
            76   76  78 1
            77   71  73 1
            78   18  79 1
            79   48  80 1
            80   32  81 2
            81   37  32 1
            82    9  82 1
            83   82  83 1
            84   83  84 2
            85   84  85 1
            86   85  86 2

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