KEGG   DRUG: EtretinateHelp
Entry
D00316                      Drug                                   

Name
Etretinate (JAN/USAN/INN);
Tegison (TN)
Formula
C23H30O3
Exact mass
354.2195
Mol weight
354.4825
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01604  Retinol derivative
Remark
Therapeutic category: 3119
ATC code: D05BB01
Product: D00316<JP>
Efficacy
Antipsoriatic, Retinoic acid receptor agonist
Comment
Vitamin A derivative
Target
NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]
NR2B (RXR) [HSA:6256 6257 6258] [KO:K08524 K08525 K08526]
  Pathway
hsa04659  Th17 cell differentiation
Interaction
Drug interaction
Structure map
map07223  Retinoic acid receptor (RAR) and retinoid X receptor (RXR) agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05B ANTIPSORIATICS FOR SYSTEMIC USE
    D05BB Retinoids for treatment of psoriasis
     D05BB01 Etretinate
      D00316  Etretinate (JAN/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   311  Vitamins A and D preparations
    3119  Others
     D00316  Etretinate (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D00316  Etretinate (JAN/USAN/INN) <JP>
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B (RXR)
     D00316  Etretinate (JAN/USAN/INN) <JP>
BRITE hierarchy
Other DBs
CAS: 54350-48-0
PubChem: 7847382
ChEBI: 4913
ChEMBL: CHEMBL464
DrugBank: DB00926
LigandBox: D00316
NIKKAJI: J2.786C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    19.3200  -21.8400
            2   C8y C    18.1300  -21.1400
            3   C8y C    19.3200  -23.2400
            4   C2b C    20.5100  -21.1400
            5   C8y C    16.8700  -21.8400
            6   C1a C    18.1300  -19.7400
            7   C8x C    18.1300  -23.9400
            8   C1a C    20.5100  -23.9400
            9   C2b C    21.7700  -21.8400
            10  C8y C    16.8700  -23.2400
            11  C2c C    22.9600  -21.1400
            12  O2a O    15.6800  -23.9400
            13  C2b C    24.1500  -21.8400
            14  C1a C    22.9600  -19.7400
            15  C1a C    14.4900  -23.2400
            16  C2b C    25.4100  -21.1400
            17  C2b C    26.6000  -21.8400
            18  C2c C    27.7900  -21.1400
            19  C2b C    29.0500  -21.8400
            20  C1a C    27.7900  -19.7400
            21  C7a C    30.2400  -21.1400
            22  O7a O    31.4300  -21.8400
            23  O6a O    30.2400  -19.7400
            24  C1b C    32.6900  -21.1400
            25  C1a C    33.8800  -21.8400
            26  C1a C    15.6634  -21.1300
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 2
            13   11  14 1
            14   12  15 1
            15   13  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   18  20 1
            20   19  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 1
            24   24  25 1
            25    7  10 1
            26    5  26 1

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