KEGG DRUG: Alitretinoin

DRUG: Alitretinoin

Entry

D02815                      Drug

Name

Alitretinoin (USAN);
Panretin (TN)

Product

PANRETIN (Concordia Pharmaceuticals)

Formula

C20H28O2

Exact mass

300.2089

Mol weight

300.43

Structure

Simcomp

Class

Vitamin and mineral
DG01604 Retinol derivative

Remark

Same as:

C15493

ATC code:

D11AH04 L01XF02

Product:

D02815<US>

Efficacy

Antineoplastic, Retinoid X receptor (RXR) agonist, Retinoic acid receptor (RAR) agonist

Disease

AIDS-related Kaposi's sarcoma [DS:H00041]

Comment

Vitamin A [CPD:C00473] derivative

Target

NR2B (RXR) [HSA:6256 6257 6258] [KO:K08524 K08525 K08526]
NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]

Pathway

hsa03320

PPAR signaling pathway

hsa04659

Th17 cell differentiation

hsa05200

Pathways in cancer

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
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH04 Alitretinoin
      D02815  Alitretinoin (USAN) <US>
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XF Retinoids for cancer treatment
     L01XF02 Alitretinoin
      D02815  Alitretinoin (USAN) <US>
USP drug classification [BR:br08302]
Antineoplastics
  Retinoids
   Alitretinoin
    D02815  Alitretinoin (USAN)
Drug groups [BR:br08330]
Vitamin and mineral
  DG01604  Retinol derivative
   D02815  Alitretinoin
Target-based classification of drugs [BR:br08310]
Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D02815  Alitretinoin (USAN) <US>
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B (RXR)
     D02815  Alitretinoin (USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
  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

Other DBs

CAS:

5300-03-8

PubChem:

17396973

ChEBI:

50648

PDB-CCD:

9CR[PDBj]

LigandBox:

D02815

NIKKAJI:

J528.606I

KCF data

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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