KEGG   DRUG: AdapaleneHelp
Entry
D01112                      Drug                                   

Name
Adapalene (JAN/USAN/INN);
Differin (TN)
Product
  Generic
Formula
C28H28O3
Exact mass
412.2038
Mol weight
412.5201
Structure
Mol fileKCF fileDB search
Class
Other
 DG01604  Retinol derivative
Remark
Therapeutic category: 2699
ATC code: D10AD03
Product: D01112<JP/US>
Product (mixture): D10792<JP/US>
Efficacy
Anti-acne, Retinoic acid receptor (RAR) agonist
  Disease
Acne vulgaris [DS:H01445]
Target
NR1B3 (RARG) [HSA:5916] [KO:K08529]
NR1B2 (RARB) [HSA:5915] [KO:K08528]
NR2B3 (RXRG) [HSA:6258] [KO:K08526]
NR2B2 (RXRB) [HSA:6257] [KO:K08525]
  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
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AD Retinoids for topical use in acne
     D10AD03 Adapalene
      D01112  Adapalene (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Adapalene
   D01112  Adapalene (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D01112  Adapalene (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B2 (RARB)
     D01112  Adapalene (JAN/USAN/INN) <JP/US>
    NR1B3 (RARG)
     D01112  Adapalene (JAN/USAN/INN) <JP/US>
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B2 (RXRB)
     D01112  Adapalene (JAN/USAN/INN) <JP/US>
    NR2B3 (RXRG)
     D01112  Adapalene (JAN/USAN/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01112  Ibuprofen piconol
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01112
Rx-to-OTC switch list in the USA [br08315.html]
 D01112
BRITE hierarchy
Other DBs
CAS: 106685-40-9
PubChem: 7848175
ChEBI: 31174
ChEMBL: CHEMBL1265
DrugBank: DB00210
LigandBox: D01112
NIKKAJI: J399.566F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1z C    17.7219  -19.1703
            2   C1x C    16.9759  -20.6495
            3   C1y C    16.9759  -21.9529
            4   C1y C    16.5531  -21.1864
            5   C1y C    18.8839  -21.1864
            6   C1x C    15.2964  -22.4094
            7   C1x C    18.1087  -23.0011
            8   C1x C    16.5531  -19.8380
            9   C1x C    17.7237  -21.8606
            10  C1x C    18.8874  -19.8380
            11  C8x C    20.0526  -13.7790
            12  C8y C    20.0526  -15.1274
            13  C8x C    21.2231  -15.8016
            14  C8x C    21.2231  -13.1048
            15  C8y C    22.3869  -13.7790
            16  C8y C    22.3811  -15.1274
            17  C8x C    23.5460  -15.8065
            18  C8x C    24.7166  -15.1374
            19  C8y C    24.7223  -13.7890
            20  C8x C    23.5574  -13.1099
            21  C8y C    18.8851  -15.8022
            22  C8x C    17.7197  -15.1251
            23  C8x C    16.5524  -15.8000
            24  C8y C    16.5531  -17.1484
            25  C8y C    17.7212  -17.8219
            26  C8x C    18.8885  -17.1472
            27  C6a C    25.8929  -13.1198
            28  O6a O    27.0577  -13.7989
            29  O6a O    25.8988  -11.7714
            30  O2a O    15.3856  -17.8232
            31  C1a C    15.3864  -19.1716
BOND        36
            1    14  11 1
            2     1   2 1
            3     2   3 1
            4     8   4 1
            5     4   9 1
            6     9   5 1
            7    15  16 1
            8    16  17 1
            9    17  18 2
            10   18  19 1
            11   19  20 2
            12   20  15 1
            13    5  10 1
            14   12  21 1
            15   10   1 1
            16    1   8 1
            17    3   6 1
            18    3   7 1
            19    4   6 1
            20   21  22 2
            21   22  23 1
            22   23  24 2
            23   24  25 1
            24   25  26 2
            25   26  21 1
            26    5   7 1
            27   19  27 1
            28   11  12 2
            29   27  28 2
            30   12  13 1
            31   27  29 1
            32   13  16 2
            33   24  30 1
            34   15  14 2
            35   30  31 1
            36   25   1 1

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