Roflumilast

Entry

D05744                      Drug

Name

Roflumilast (JAN/USAN/INN);
Daliresp (TN);
Zoryve (TN)

Product

ZORYVE (Arcutis Biotherapeutics), DALIRESP (AstraZeneca Pharmaceuticals LP)

Generic

ROFLUMILAST (Solco Healthcare US)

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:

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]
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