KEGG   DRUG: RoflumilastHelp
Entry
D05744                      Drug                                   

Name
Roflumilast (JAN/USAN/INN);
Daliresp (TN)
Product
  Generic
Formula
C17H14Cl2F2N2O3
Exact mass
402.035
Mol weight
403.2075
Structure
Mol fileKCF fileDB search
Class
Enzyme substrate
 DG01892  CYP1A2 substrate
Remark
ATC code: R03DX07
Product: D05744<US>
Efficacy
Antiasthmatic, Phosphodiesterase IV inhibitor
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Target
PDE4 [HSA:5141 5142 5143 5144] [KO:K13293]
  Pathway
hsa04024  cAMP signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A2 [HSA:1544]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE4
     D05744  Roflumilast (JAN/USAN/INN) <US>
Drug classes of therapeutic agents [br08360.html]
 Respiratory agents
  D05744
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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
BRITE hierarchy
Other DBs
CAS: 162401-32-3
PubChem: 47207405
ChEBI: 47657
ChEMBL: CHEMBL193240
DrugBank: DB01656
PDB-CCD: ROF[PDBj]
LigandBox: D05744
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system