KEGG   DRUG: Apremilast
Entry
D08860                      Drug                                   
Name
Apremilast (JAN/USAN);
Otezla (TN)
Product
OTEZLA (Amgen)
Formula
C22H24N2O7S
Exact mass
460.1304
Mol weight
460.5002
Structure
Remark
Therapeutic category: 3999
ATC code: L04AA32
Product: D08860<JP/US>
Efficacy
Anti-inflammatory, Phosphodiesterase IV inhibitor
  Disease
Psoriatic arthritis [DS:H01507]
Psoriasis [DS:H01656]
Plaque Psoriasis [DS:H01656]
Behçet’s disease [DS:H01476]
Comment
Treatment of chronic inflammatory conditions including psoriasis, asthma and cutaneous lupus erythematosus
Target
PDE4 [HSA:5141 5142 5143 5144] [KO:K13293]
  Pathway
hsa00230  Purine metabolism
hsa04024  cAMP signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA32 Apremilast
      D08860  Apremilast (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Dermatological Agents
  Dermatological Agents, Other
   Psoriasis Agents
    Apremilast
     D08860  Apremilast (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D08860  Apremilast (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE4
     D08860  Apremilast (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08860
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08860
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08860
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08860
Other DBs
CAS: 608141-41-9
PubChem: 96025543
ChEBI: 78540
PDB-CCD: A9L[PDBj]
LigandBox: D08860
KCF data

ATOM        32
            1   C8y C    15.0500  -16.8700
            2   C8y C    15.0500  -18.2700
            3   C5x C    16.3815  -18.7026
            4   N1y N    17.2044  -17.5700
            5   C5x C    16.3815  -16.4374
            6   O5x O    16.8103  -15.1178
            7   O5x O    16.8103  -20.0222
            8   C8x C    13.8376  -16.1700
            9   C8x C    12.6251  -16.8700
            10  C8x C    12.6251  -18.2700
            11  C8y C    13.8376  -18.9700
            12  N1b N    13.8376  -20.3698
            13  C5a C    12.6252  -21.0698
            14  C1a C    11.3941  -20.3588
            15  O5a O    12.6251  -22.4698
            16  C1c C    18.6200  -17.5700
            17  C8y C    19.3200  -18.7824
            18  C1b C    19.3200  -16.3576
            19  S4a S    20.7198  -16.3576
            20  O3c O    22.1198  -16.3576
            21  O3c O    20.7198  -17.7800
            22  C1a C    20.7198  -14.9800
            23  C8x C    18.6296  -19.9779
            24  C8x C    19.3295  -21.1904
            25  C8y C    20.7295  -21.1906
            26  C8y C    21.4199  -19.9951
            27  C8x C    20.7200  -18.7826
            28  O2a O    21.4354  -22.4134
            29  O2a O    22.8198  -19.9953
            30  C1b C    23.5094  -18.8015
            31  C1a C    24.9197  -18.8016
            32  C1a C    22.8199  -22.4132
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     3   7 2
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 2
            17    4  16 1
            18   16  17 1
            19   16  18 1 #Down
            20   18  19 1
            21   19  20 2
            22   19  21 2
            23   19  22 1
            24   17  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   17  27 1
            30   25  28 1
            31   26  29 1
            32   29  30 1
            33   30  31 1
            34   28  32 1

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Ontology (8)   
   KEGG BRITE (8)   
Disease (3)   
   KEGG DISEASE (3)   
Drug (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (5)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (4)   
All databases (20)   

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