KEGG   DRUG: Tretinoin
Entry
D00094                      Drug                                   
Name
Tretinoin (JAN/USP/INN);
Avita (TN);
Renova (TN);
Retin A (TN);
Tretinoin (TN)
Product
  Generic
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.4351
Structure
Simcomp
Class
Vitamin and mineral
 DG01604  Retinol derivative
Remark
Same as: C00777
Therapeutic category: 4291
ATC code: D10AD01 L01XF01
Chemical structure group: DG00433
Product (DG00433): D00094<JP/US> D01516<JP>
Product (mixture): D11084<US> D12338<US>
Efficacy
Antineoplastic, Keratolytic, Retinoic acid receptor (RAR) agonist
  Disease
Acne vulgaris [DS:H01445]
Comment
Vesanoid (TN): discontinued in FDA
Target
PML-RARA [HSA:5371 5914] [KO:K10054 K08527]
NR1B (RAR) [HSA:5914 5915 5916] [KO:K08527 K08528 K08529]
  Pathway
hsa04659  Th17 cell differentiation
hsa05200  Pathways in cancer
hsa05202  Transcriptional misregulation in cancer
hsa05221  Acute myeloid leukemia
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
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AD Retinoids for topical use in acne
     D10AD01 Tretinoin
      D00094  Tretinoin (JAN/USP/INN) <JP/US>
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XF Retinoids for cancer treatment
     L01XF01 Tretinoin
      D00094  Tretinoin (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Tretinoin
    D00094  Tretinoin (JAN/USP/INN)
 Dermatological Agents
  Acne and Rosacea Agents
   Retinoids
    Tretinoin
     D00094  Tretinoin (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00094  Tretinoin (JAN/USP/INN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   DG00433  Tretinoin
    D00094  Tretinoin
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D00094  Tretinoin (JAN/USP/INN) <JP/US>
    PML-RARA
     D00094  Tretinoin (JAN/USP/INN) <JP/US>
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   DG00433  Tretinoin
Other DBs
CAS: 302-79-4
PubChem: 7847162
ChEBI: 15367
PDB-CCD: REA[PDBj]
LigandBox: D00094
NIKKAJI: J1.518K
LinkDB
KCF data

ATOM        22
            1   C1x C    14.4200  -19.8100
            2   C1x C    14.4200  -21.2100
            3   C1x C    15.6324  -21.9100
            4   C2y C    16.8449  -21.2100
            5   C2y C    16.8449  -19.8100
            6   C1z C    15.6324  -19.1100
            7   C1a C    16.4540  -17.9930
            8   C1a C    14.6889  -18.0557
            9   C1a C    18.0760  -21.9210
            10  C2b C    18.0760  -19.0990
            11  C2b C    19.2812  -19.7947
            12  C2c C    20.4635  -19.1119
            13  C2b C    21.6575  -19.8012
            14  C1a C    20.4635  -17.7102
            15  C2b C    22.8454  -19.1152
            16  C2b C    24.0365  -19.8029
            17  C2c C    25.2259  -19.1161
            18  C2b C    26.4162  -19.8034
            19  C6a C    27.6061  -19.1163
            20  O6a O    28.7962  -19.8035
            21  C1a C    25.2260  -17.7102
            22  O6a O    27.6061  -17.7102
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     6   8 1
            9     4   9 1
            10    5  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   12  14 1
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   17  21 1
            22   19  22 2

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