KEGG   COMPOUND: C08160
Entry
C08160                      Compound                               
Name
Bicalutamide
Formula
C18H14F4N2O4S
Exact mass
430.061
Mol weight
430.3734
Structure
Remark
Same as: D00961
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BB Anti-androgens
     L02BB03 Bicalutamide
      D00961  Bicalutamide (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Bicalutamide
    D00961  Bicalutamide (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00961  Bicalutamide (JP18/USP/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   DG01624  Flutamide-type antiandrogen
    D00961  Bicalutamide
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D00961  Bicalutamide
Drug classes [BR:br08332]
 Antineoplastic
  DG01591  Androgen receptor antagonist
   D00961  Bicalutamide
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00961  Bicalutamide (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00961  Bicalutamide
  D00961  Bicalutamide tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00961
Other DBs
CAS: 90357-06-5
PubChem: 10360
ChEBI: 3090
PDB-CCD: 0U9[PDBj]
NIKKAJI: J391.515H
KCF data

ATOM        29
            1   C8y C    41.7776  -19.3090
            2   C8y C    41.7776  -20.7132
            3   C8x C    40.5137  -18.6068
            4   C1d C    42.9712  -18.6068
            5   C8x C    40.5137  -21.4154
            6   C3b C    42.9712  -21.4154
            7   C8y C    39.3201  -19.3090
            8   X   F    44.1648  -17.9047
            9   X   F    42.2691  -17.4132
            10  X   F    43.6733  -19.8005
            11  C8x C    39.3201  -20.7132
            12  N3a N    44.1648  -22.1175
            13  N1b N    38.1265  -18.6068
            14  C5a C    36.9328  -19.3090
            15  C1d C    35.6690  -18.6068
            16  O5a O    36.9328  -20.7132
            17  C1b C    34.4753  -19.3090
            18  C1a C    35.6690  -17.2026
            19  S4a S    33.2817  -18.6068
            20  C8y C    32.0179  -19.3090
            21  O3c O    32.2987  -17.6238
            22  O3c O    34.1945  -17.5536
            23  O1a O    35.6690  -20.0111
            24  C8x C    32.0179  -20.7132
            25  C8x C    30.8242  -21.4154
            26  C8y C    29.6306  -20.7132
            27  C8x C    29.6306  -19.3090
            28  C8x C    30.8242  -18.6068
            29  X   F    28.3668  -21.4154
BOND        30
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 3
            12    7  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16   15  17 1
            17   15  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   19  21 2
            21   19  22 2
            22    7  11 2
            23   15  23 1 #Up
            24   20  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   20  28 1
            30   26  29 1

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