KEGG   DRUG: VenetoclaxHelp
Entry
D10679                      Drug                                   

Name
Venetoclax (JAN/USAN/INN);
Venclexta (TN)
Product
Formula
C45H50ClN7O7S
Exact mass
867.3181
Mol weight
868.4392
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Chemical group: 
Efficacy
Antineoplastic, Bcl-2 inhibitor
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX52 Venetoclax
      D10679  Venetoclax (JAN/USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Venetoclax
    D10679  Venetoclax (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Others
  Other
   apoptosis regulator Bcl-2
    Venetoclax
     D10679  Venetoclax (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10679
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10679
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10679
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D10679
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D10679
BRITE hierarchy
Other DBs
CAS: 
1257044-40-8
PubChem: 
ChEBI: 
ChEMBL: 
LinkDB All DBs
KCF data Show

ATOM        61
            1   C1x C    14.3500  -17.1500
            2   N1y N    14.3500  -18.5500
            3   C1x C    15.5400  -19.2500
            4   C1x C    16.7300  -18.5500
            5   N1y N    16.7300  -17.1500
            6   C1x C    15.5400  -16.4500
            7   C8y C    17.9900  -16.4500
            8   C1b C    13.0900  -19.2500
            9   C2y C    11.9000  -18.5500
            10  C1x C    11.9000  -17.1500
            11  C1x C    10.7100  -16.4500
            12  C1z C     9.4500  -17.1500
            13  C1x C     9.4500  -18.5500
            14  C2y C    10.7100  -19.2500
            15  C8y C    10.7100  -20.6500
            16  C8x C     9.4500  -21.3500
            17  C8x C     9.4500  -22.7500
            18  C8y C    10.7100  -23.4500
            19  C8x C    11.9000  -22.7500
            20  C8x C    11.9000  -21.3500
            21  X   Cl   10.7100  -24.8500
            22  C1a C     8.9600  -16.1000
            23  C1a C     8.2600  -17.2900
            24  C8x C    19.1800  -17.1500
            25  C8x C    20.4400  -16.5200
            26  C8y C    20.4400  -14.9800
            27  C5a C    21.6300  -14.2800
            28  N1b N    22.8200  -14.9800
            29  S4a S    24.0100  -14.3500
            30  C8y C    25.2000  -15.0500
            31  O5a O    21.6300  -12.9500
            32  C8x C    25.2000  -16.4500
            33  C8x C    26.4600  -17.1500
            34  C8y C    27.6500  -16.4500
            35  C8y C    27.6500  -15.0500
            36  C8x C    26.4600  -14.3500
            37  O3c O    23.3100  -13.0900
            38  O3c O    24.7100  -13.0900
            39  N2b N    28.9100  -14.2800 #+
            40  N1b N    28.9100  -17.1500
            41  C8y C    19.2500  -14.3500
            42  C8x C    17.9900  -15.0500
            43  O2a O    19.2500  -12.9500
            44  C8y C    17.9900  -12.2500
            45  C8x C    18.0600  -10.8500
            46  C8y C    16.8000  -10.1500
            47  C8y C    15.6100  -10.8500
            48  N5x N    15.6100  -12.2500
            49  C8x C    16.8000  -12.9500
            50  C8x C    16.5200   -8.7500
            51  C8x C    15.1200   -8.6100
            52  N4x N    14.5600   -9.9400
            53  C1b C    30.1000  -16.4500
            54  C1y C    31.3600  -17.1500
            55  C1x C    31.3600  -18.5500
            56  C1x C    32.5500  -19.2500
            57  O2x O    33.7400  -18.5500
            58  C1x C    33.7400  -17.1500
            59  C1x C    32.5500  -16.4500
            60  O3a O    28.9100  -12.8800
            61  O3a O    30.1000  -14.9100 #-
BOND        68
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   15  20 2
            23   18  21 1
            24   12  22 1
            25   12  23 1
            26    7  24 2
            27   24  25 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   27  31 2
            33   30  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   30  36 1
            39   29  37 2
            40   29  38 2
            41   35  39 1
            42   34  40 1
            43   25  26 2
            44   26  41 1
            45   41  42 2
            46    7  42 1
            47   41  43 1
            48   43  44 1
            49   44  45 1
            50   45  46 2
            51   46  47 1
            52   47  48 2
            53   48  49 1
            54   44  49 2
            55   46  50 1
            56   50  51 2
            57   51  52 1
            58   47  52 1
            59   40  53 1
            60   53  54 1
            61   54  55 1
            62   55  56 1
            63   56  57 1
            64   57  58 1
            65   58  59 1
            66   54  59 1
            67   39  60 2
            68   39  61 1

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