KEGG   DRUG: D03106Help
Entry
D03106                      Drug                                   

Name
Bexarotene (USAN/INN);
Targretin (TN)
Product
Formula
C24H28O2
Exact mass
348.2089
Mol weight
348.4779
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic used in the treatment of cutaneous T-cell lymphoma;
Antidiabetic
Remark
ATC code: 
Comment
Indication: Cutaneous T-cell lymphoma
Target
retinoid receptor agonist [HSA:6256 6257 6258] [KO:K08524 K08525 K08526]
  Pathway
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway
hsa05200  Pathways in cancer  
 
Interaction
Drug interaction
Structure map
Retinoic acid receptor (RAR) and retinoid X receptor (RXR) agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX25 Bexarotene
      D03106  Bexarotene (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Bexarotene
    D03106  Bexarotene (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    retinoid receptor
     Bexarotene
      D03106  Bexarotene (USAN/INN)
Antineoplastics [BR:br08308]
 Miscellaneous agents
  Other antineoplastic agents
   Bexarotene
    D03106  Bexarotene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
153559-49-0
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    14.9800  -16.8700
            2   C8y C    14.9800  -15.4700
            3   C1z C    13.7900  -14.7700
            4   C1x C    12.6000  -15.4700
            5   C1x C    12.6000  -16.8700
            6   C1z C    13.7900  -17.5700
            7   C8x C    16.2400  -17.5700
            8   C8y C    17.4300  -16.8700
            9   C8y C    17.4300  -15.4700
            10  C8x C    16.2400  -14.7700
            11  C2c C    18.6200  -17.5700
            12  C8y C    19.8800  -16.8700
            13  C1a C    12.8100  -18.5500
            14  C1a C    14.7700  -18.5500
            15  C1a C    14.8400  -13.7900
            16  C1a C    12.8100  -13.7900
            17  C2a C    18.6200  -18.9700
            18  C1a C    18.6200  -14.7700
            19  C8x C    21.0700  -17.5700
            20  C8x C    22.2600  -16.8700
            21  C8y C    22.2600  -15.4700
            22  C8x C    21.0700  -14.7700
            23  C8x C    19.8800  -15.4700
            24  C6a C    23.4500  -14.7700
            25  O6a O    24.7100  -15.5400
            26  O6a O    23.4500  -13.4400
BOND        28
            1    11  12 1
            2     1   7 1
            3     7   8 2
            4     8   9 1
            5     9  10 2
            6    10   2 1
            7     5   6 1
            8     6   1 1
            9     1   2 2
            10    6  13 1
            11    2   3 1
            12    6  14 1
            13    3   4 1
            14    3  15 1
            15    4   5 1
            16    3  16 1
            17    8  11 1
            18   11  17 2
            19    9  18 1
            20   12  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   12  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2

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