General
Preferred name
ROFLUMILAST
Synonyms
B9302-107 ()
BYK 20869 ()
APTA 2217 ()
BY 217 ()
APTA-2217 ()
APTA 2217, B9302-107, BY 217, BYK 20869 ()
Roflumilast (B9302-107) ()
Roflumilast ()
Roflumilast-d4 ()
Daliresp ()
BY217 ()
Daxas ()
Zoryve ()
Arq-151 ()
Libertek ()
BYK20869 ()
BY-217 ()
ARQ-154 (ROFLUMILAST FOAM) ()
B-9302-107 ()
BYK-20869 ()
ARQ-151 ()
DALIRESP ()
LIBERTEK ()
ZORYVE ()
P&D ID
PD009434
CAS
162401-32-3
1398065-69-4
Tags
available
drug
Approved by
FDA
EMA
First approval
2011
2010
Drug indication
Atopic dermatitis
Asthma
Chronic obstructive pulmonary disease
Bronchiectasis
Type-2 diabetes
Drug Status
approved
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Roflumilast is a phosphodiesterase-4 inhibitor. (GtoPdb)
DESCRIPTION Roflumilast (APTA-2217) is a selective PDE4 inhibitor with IC50s of 0.7, 0.9, 0.7, and 0.2 nM for PDE4A1, PDEA4, PDEB1, and PDEB2, respectively, without affecting PDE1, PDE2, PDE3 or PDE5 isoenzymes from various cells.
PRICE 60
DESCRIPTION Potent and selective CLK inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Roflumilast (APTA 2217) is an orally available, long-acting inhibitor of phosphodiesterase (PDE) type 4 (PDE4), with anti-inflammatory and potential antineoplastic activities. Upon administration, roflumilast and its active metabolite roflumilast N-oxide selectively and competitively bind to and inhibit PDE4, which leads to an increase of both intracellular levels of cyclic-3', 5'-adenosine monophosphate (cAMP) and cAMP-mediated signaling. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
32
AdooQ Bioactive Compound Library
A10804
Axon Medchem Screening Library
2352
Cayman Chemical Bioactives
15141
18260
ChEMBL Approved Drugs
CHEMBL193240
ChEMBL Drugs
CHEMBL193240
Concise Guide to Pharmacology 2017/18
6962
Concise Guide to Pharmacology 2019/20
6962
Concise Guide to Pharmacology 2021/22
6962
Concise Guide to Pharmacology 2023/24
6962
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB01656
DrugBank Approved Drugs
DB01656
DrugCentral
3531
DrugCentral Approved Drugs
3531
DrugMAP
DMPGHY8
DrugMAP Approved Drugs
DMPGHY8
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101068
EUbOPEN Chemogenomics Library
EUB0002706
Guide to Pharmacology
6962
Ki Database
Roflumilast
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL193240
Mcule NIBR MoA Box Subset
MCULE-6629893406
MedChem Express Bioactive Compound Library
HY-15455
NCATS Inxight Approved Drugs
0P6C6ZOP5U
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
Roflumilast(Daxas)
TargetMol Bioactive Compound Library
T1024
The Spectrum Collection
Tocris Bioactive Compound Library
6641
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
402.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
2
cLogP
5.03
TPSA
60.45
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PDE4A1
PDE4A4
PDE4B1
PDE4B2
PDE4C1
phosphodiesterase
RSV
PDE4A, PDE4B, PDE4C, PDE4D
PDE4 inhibitor
Phosphodiesterase (PDE)
PDE
Primary Target
Phosphodiesterases
MOA
Inhibitor
Phosphodiesterase IV Inhibitors
phosphodiesterase inhibitor
Member status
member
Indication
chronic obstructive pulmonary disease (COPD), bronchitis
Pathway
Metabolism
Microbiology/virology
Anti-infection
Metabolic Enzyme/Protease
Recommended Cell Concentration
None
Source data