KEGG   DRUG: Lurbinectedin
Entry
D11644                      Drug                                   

Name
Lurbinectedin (USAN/INN);
Zepzelca (TN)
Formula
C41H44N4O10S
Exact mass
784.2778
Mol weight
784.8739
Structure
Efficacy
Antineoplastic, Alkylating agent
  Disease
Small cell lung cancer [DS:H00013]
Comment
Tetrahydroisoquinoline alkaloid
Target
DNA
Brite
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11644
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11644
Other DBs
CAS: 497871-47-3
PubChem: 405226511
LinkDB
KCF data

ATOM        56
            1   C1z C    23.8000  -12.0400
            2   C8y C    25.0600  -12.7400
            3   C8y C    26.1800  -11.9700
            4   C1x C    26.1800  -10.5700
            5   C1x C    24.9200   -9.9400
            6   N1x N    23.8000  -10.6400
            7   C1y C    12.7400  -15.4000
            8   C1y C    14.1400  -15.4000
            9   N1y N    15.1200  -16.3800
            10  C1y C    15.1200  -17.7800
            11  C1y C    14.1400  -18.7600
            12  C8y C    12.7400  -18.7600
            13  C8y C    11.7600  -17.7800
            14  C1x C    11.7600  -16.3800
            15  C8x C    10.3600  -18.1300
            16  C8y C    10.0100  -19.5300
            17  C8y C    10.9900  -20.5100
            18  C8y C    12.3200  -20.1600
            19  C1y C    16.3100  -18.4800
            20  C8y C    17.5700  -17.7800
            21  C8y C    17.5700  -16.3800
            22  C1y C    16.3100  -15.6800
            23  C8y C    18.7600  -18.4800
            24  C8y C    19.9500  -17.7800
            25  C8y C    19.9500  -16.3800
            26  C8y C    18.7600  -15.6800
            27  O2x O    21.0000  -15.4700
            28  C1x C    20.4400  -14.2100
            29  O2x O    19.0400  -14.3500
            30  O1a O    14.6300  -14.0700
            31  N1y N    14.1400  -16.6600
            32  C1a C    12.7400  -16.6600
            33  O1a O    13.3000  -21.1400
            34  O2a O    10.6400  -21.8400
            35  C1a C     8.6800  -19.8800
            36  C1a C     9.3100  -22.1900
            37  C1x C    16.3100  -14.2800
            38  S2x S    16.3100  -22.4700
            39  O7x O    17.5000  -13.5800
            40  C7x C    17.5000  -12.1800
            41  O6a O    16.2400  -11.5500
            42  C1a C    21.1400  -18.4800
            43  C1x C    23.8000  -22.4700
            44  O7a O    18.7600  -19.8800
            45  C7a C    19.9500  -20.5800
            46  C1a C    21.1400  -19.8800
            47  O6a O    19.9500  -21.9800
            48  N4x N    25.4462  -14.0431
            49  C8y C    26.8049  -14.0785
            50  C8y C    27.2584  -12.7972
            51  C8x C    27.7143  -15.1429
            52  C8x C    29.0908  -14.8876
            53  C8y C    29.5443  -13.6063
            54  C8x C    28.6349  -12.5419
            55  O2a O    30.9211  -13.3509
            56  C1a C    31.8479  -14.4357
BOND        65
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14   7 1
            15   13  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   12  18 2
            20   10  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24    9  22 1
            25   20  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   21  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   26  29 1
            34    8  30 1 #Down
            35    7  31 1 #Up
            36   11  31 1 #Up
            37   31  32 1
            38   18  33 1
            39   17  34 1
            40   16  35 1
            41   34  36 1
            42   22  37 1 #Up
            43   19  38 1 #Up
            44   37  39 1
            45   39  40 1
            46   40  41 2
            47   24  42 1
            48    1  40 1 #Down
            49    1  43 1 #Up
            50   38  43 1
            51   23  44 1
            52   44  45 1
            53   45  46 1
            54   45  47 2
            55    2  48 1
            56   48  49 1
            57   49  50 1
            58    3  50 1
            59   49  51 2
            60   51  52 1
            61   52  53 2
            62   53  54 1
            63   50  54 2
            64   53  55 1
            65   55  56 1

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