KEGG   DRUG: BexaroteneHelp
Entry
D03106                      Drug                                   

Name
Bexarotene (JAN/USAN/INN);
Targretin (TN)
Product
  Generic
Formula
C24H28O2
Exact mass
348.2089
Mol weight
348.4779
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01604  Retinol derivative
Enzyme inducer
 DG02853  CYP3A inducer
Remark
Therapeutic category: 4291
ATC code: L01XX25
Product: D03106<JP/US>
Efficacy
Antineoplastic
  Disease
Cutaneous T-cell lymphoma [DS:H01463]
Target
NR2B (RXR) [HSA:6256 6257 6258] [KO:K08524 K08525 K08526]
  Pathway
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway
hsa05200  Pathways in cancer
Interaction
CYP induction: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
map07223  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 (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Bexarotene
    D03106  Bexarotene (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D03106  Bexarotene (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B (RXR)
     D03106  Bexarotene (JAN/USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D03106
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D03106
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03106
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03106
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03106
BRITE hierarchy
Other DBs
CAS: 153559-49-0
PubChem: 17397261
ChEBI: 50859
ChEMBL: CHEMBL1023
DrugBank: DB00307
PDB-CCD: 9RA[PDBj]
LigandBox: D03106
NIKKAJI: J612.549B
LinkDB All DBs
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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