KEGG   DRUG: AcitretinHelp
Entry
D02754                      Drug                                   

Name
Acitretin (USP/INN);
Soriatane (TN)
Product
  Generic
Formula
C21H26O3
Exact mass
326.1882
Mol weight
326.4293
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01604  Retinol derivative
Remark
ATC code: D05BB02
Product: D02754<US>
Efficacy
Antipsoriatic, Retinoic acid receptor agonist
  Disease
Psoriasis [DS:H01656]
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
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
     D05BB02 Acitretin
      D02754  Acitretin (USP/INN) <US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Acitretin
   D02754  Acitretin (USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D02754  Acitretin (USP/INN) <US>
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B (RXR)
     D02754  Acitretin (USP/INN) <US>
BRITE hierarchy
Other DBs
CAS: 55079-83-9
PubChem: 17396912
ChEBI: 50173
ChEMBL: CHEMBL1131
DrugBank: DB00459
LigandBox: D02754
NIKKAJI: J23.289K
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    21.1622  -16.4882
            2   C8y C    21.1622  -17.8979
            3   C8y C    19.9639  -15.7834
            4   C2b C    22.4309  -15.7834
            5   C8x C    19.9639  -18.6028
            6   C8y C    18.7657  -16.4882
            7   C1a C    19.9639  -14.3736
            8   C2b C    23.6292  -16.4882
            9   C8y C    18.7657  -17.8979
            10  C2c C    24.8274  -15.7834
            11  C2b C    26.0257  -16.4882
            12  C1a C    24.8274  -14.3736
            13  C2b C    27.2239  -15.7834
            14  C2b C    28.4222  -16.4882
            15  C2c C    29.6204  -15.7834
            16  C2b C    30.8187  -16.4177
            17  C1a C    29.6204  -14.3736
            18  C6a C    32.0169  -15.7834
            19  O6a O    33.2857  -16.4177
            20  O6a O    32.0169  -14.3736
            21  C1a C    17.5392  -15.7933
            22  O2a O    17.5449  -18.6028
            23  C1a C    22.4057  -18.6028
            24  C1a C    16.3183  -17.9079
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     8  10 1
            10   10  11 2
            11   10  12 1
            12   11  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   18  19 1
            19   18  20 2
            20    6   9 2
            21    6  21 1
            22    9  22 1
            23   23   2 1
            24   24  22 1

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