KEGG   DRUG: Roflumilast
Entry
D05744                      Drug                                   
Name
Roflumilast (JAN/USAN/INN);
Daliresp (TN);
Zoryve (TN)
Product
DALIRESP (AstraZeneca Pharmaceuticals LP), ZORYVE (Arcutis Biotherapeutics), ZORYVE (Arcutis Biotherapeutics)
  Generic
ROFLUMILAST (American Health Packaging), ROFLUMILAST (Aurobindo Pharma Limited), ROFLUMILAST (Camber Pharmaceuticals), ROFLUMILAST (MAJOR PHARMACEUTICALS), ROFLUMILAST (Micro Labs Limited), ROFLUMILAST (Mylan Pharmaceuticals), ROFLUMILAST (Novadoz Pharmaceuticals LLC), ROFLUMILAST (Solco Healthcare US), ROFLUMILAST (Strides Pharma Science Limited), ROFLUMILAST (Zydus Lifesciences Limited), ROFLUMILAST (Zydus Pharmaceuticals USA)
Formula
C17H14Cl2F2N2O3
Exact mass
402.035
Mol weight
403.2075
Structure
Class
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: D05AX06 R03DX07
Product: D05744<US>
Efficacy
Antiasthmatic, Phosphodiesterase IV inhibitor
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Plaque psoriasis [DS:H01656]
Target
PDE4 [HSA:5141 5142 5143 5144] [KO:K13293]
  Pathway
hsa04024  cAMP signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A2 [HSA:1544]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D05 ANTIPSORIATICS
   D05A ANTIPSORIATICS FOR TOPICAL USE
    D05AX Other antipsoriatics for topical use
     D05AX06 Roflumilast
      D05744  Roflumilast (JAN/USAN/INN) <US>
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DX Other systemic drugs for obstructive airway diseases
     R03DX07 Roflumilast
      D05744  Roflumilast (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Phosphodiesterase Inhibitors, Airways Disease
   Roflumilast
    D05744  Roflumilast (JAN/USAN/INN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D05744  Roflumilast
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D05744  Roflumilast
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE4
     D05744  Roflumilast (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05744
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D05744
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05744
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D05744
Other DBs
CAS: 162401-32-3
PubChem: 47207405
ChEBI: 47657
PDB-CCD: ROF[PDBj]
LigandBox: D05744
KCF data

ATOM        26
            1   C8y C    14.2100  -18.7600
            2   C8y C    14.2100  -20.1600
            3   C8x C    15.4000  -20.8600
            4   C8y C    16.6600  -20.1600
            5   C8x C    16.6600  -18.7600
            6   C8x C    15.4000  -18.0600
            7   O2a O    13.0200  -18.0600
            8   O2a O    13.0200  -20.8600
            9   C1c C    13.0200  -16.6600
            10  X   F    11.8300  -15.9600
            11  X   F    14.2100  -15.9600
            12  C1b C    11.8300  -20.1600
            13  C1y C    10.6400  -20.8600
            14  C1x C     9.2400  -20.8600
            15  C1x C     9.9400  -22.0500
            16  C5a C    17.8666  -20.8700
            17  N1b N    19.0763  -20.1847
            18  O5a O    17.8551  -22.2600
            19  C8y C    20.2966  -20.9030
            20  C8y C    20.2844  -22.3299
            21  C8x C    21.4908  -23.0402
            22  N5x N    22.7792  -22.3506
            23  C8x C    22.7213  -20.9237
            24  C8y C    21.5149  -20.2134
            25  X   Cl   21.4564  -18.8305
            26  X   Cl   19.0779  -23.0129
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     2   8 1
            9     7   9 1
            10    9  10 1
            11    9  11 1
            12    8  12 1
            13   12  13 1
            14   14  13 1
            15   13  15 1
            16   15  14 1
            17    4  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   24  25 1
            28   20  26 1

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Ontology (8)   
   KEGG BRITE (8)   
Disease (2)   
   KEGG DISEASE (2)   
Drug (4)   
   KEGG DGROUP (2)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (5)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (4)   
All databases (22)   

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