KEGG   DRUG: AlitretinoinHelp
Entry
D02815                      Drug                                   

Name
Alitretinoin (USAN);
Panretin (TN)
Product
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.4351
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Other
 DG01604  Retinol derivative
Remark
Same as: 
ATC code: 
Activity
Antineoplastic, Retinoid X receptor (RXR) agonist, Retinoic acid receptor (RAR) agonist
  Disease
Kaposi's sarcoma [DS:H00041]
Comment
Vitamin A [CPD:C00473] derivative
Treatment of AIDS-related Kaposi's sarcoma and in the treatment of acute promyelocytic leukemia
Indication: Cutaneous lesions in patients with AIDS-related Kaposi's sarcoma.
Target
NR2B1 (RXRA) [HSA:6256] [KO:K08524];
NR2B2 (RXRB) [HSA:6257] [KO:K08525];
NR2B3 (RXRG) [HSA:6258] [KO:K08526];
NR1B1 (RARA) [HSA:5914] [KO:K08527];
NR1B2 (RARB) [HSA:5915] [KO:K08528];
NR1B3 (RARG) [HSA:5916] [KO:K08529]
  Pathway
PPAR signaling pathway
Adipocytokine signaling pathway
Bile secretion
Pathways in cancer
Structure map
Retinoic acid receptor (RAR) and retinoid X receptor (RXR) agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH04 Alitretinoin
      D02815  Alitretinoin (USAN)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX22 Alitretinoin
      D02815  Alitretinoin (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Alitretinoin
    D02815  Alitretinoin (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    retinoic acid receptor alpha
     Alitretinoin
      D02815  Alitretinoin (USAN)
    retinoic acid receptor beta
     Alitretinoin
      D02815  Alitretinoin (USAN)
    retinoic acid receptor gamma
     Alitretinoin
      D02815  Alitretinoin (USAN)
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    retinoid receptor
     Alitretinoin
      D02815  Alitretinoin (USAN)
Antineoplastics [br08340.html]
 D02815
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D02815
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02815
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02815
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D02815
BRITE hierarchy
Other DBs
CAS: 
5300-03-8
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C2y C    15.6041  -14.0620
            2   C1z C    14.4145  -13.3623
            3   C2y C    15.6041  -15.4615
            4   C2b C    16.7936  -13.3623
            5   C1x C    13.2250  -14.0620
            6   C1a C    15.4641  -12.5226
            7   C1a C    13.1550  -12.4526
            8   C1x C    14.4145  -16.1612
            9   C1a C    16.7936  -16.1612
            10  C2b C    17.9832  -14.0620
            11  C1x C    13.2250  -15.4615
            12  C2c C    19.1727  -13.3623
            13  C2b C    20.4323  -14.0620
            14  C1a C    19.1727  -11.9628
            15  C2b C    20.4553  -15.4613
            16  C2b C    21.6610  -16.1313
            17  C2c C    21.6140  -17.5607
            18  C2b C    22.8429  -18.2442
            19  C1a C    20.4191  -18.2763
            20  C6a C    22.7960  -19.6588
            21  O6a O    21.5730  -20.3120
            22  O6a O    23.9956  -20.4055
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14    8  11 1
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   17  19 1
            20   18  20 1
            21   20  21 2
            22   20  22 1

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