KEGG   DRUG: D00961Help
Entry
D00961                      Drug                                   

Name
Bicalutamide (JAN/USP/INN);
Casodex (TN)
Product
  Generic
Formula
C18H14F4N2O4S
Exact mass
430.061
Mol weight
430.3734
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic, Antiandrogen [DS:H00024]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Target
androgen receptor antagonist [HSA:367] [KO:K08557]
  Pathway
hsa05200  Pathways in cancer
hsa05215  Prostate cancer  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00961  Bicalutamide (JAN/USP/INN)
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 (JAN/USP/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiandrogens
   Bicalutamide
    D00961  Bicalutamide (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    androgen receptor [HSA:367] [KO:K08557]
     Bicalutamide [ATC:L02BB03]
      D00961  Bicalutamide (JAN/USP/INN)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonist
  Androgen antagonist
   Bicalutamide [ATC:L02BB03]
    D00961  Bicalutamide (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
90357-06-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    41.7900  -19.3200
            2   C8y C    41.7900  -20.7200
            3   C8x C    40.5300  -18.6200
            4   C1d C    42.9800  -18.6200
            5   C8x C    40.5300  -21.4200
            6   C3b C    42.9800  -21.4200
            7   C8y C    39.3400  -19.3200
            8   X   F    44.1700  -17.9200
            9   X   F    42.2800  -17.4300
            10  X   F    43.6800  -19.8100
            11  C8x C    39.3400  -20.7200
            12  N3a N    44.1700  -22.1200
            13  N1b N    38.1500  -18.6200
            14  C5a C    36.9600  -19.3200
            15  C1d C    35.7000  -18.6200
            16  O5a O    36.9600  -20.7200
            17  C1b C    34.5100  -19.3200
            18  C1a C    35.7000  -17.2200
            19  S4a S    33.3200  -18.6200
            20  C8y C    32.0600  -19.3200
            21  O3c O    32.3400  -17.6400
            22  O3c O    34.2300  -17.5700
            23  O1a O    35.7000  -20.0200
            24  C8x C    32.0600  -20.7200
            25  C8x C    30.8700  -21.4200
            26  C8y C    29.6800  -20.7200
            27  C8x C    29.6800  -19.3200
            28  C8x C    30.8700  -18.6200
            29  X   F    28.4200  -21.4200
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

» Japanese version   » Back

DBGET integrated database retrieval system