General
Preferred name
ROFLUMILAST
Synonyms
APTA 2217 ()
B9302-107 ()
BY 217 ()
BYK 20869 ()
APTA-2217 ()
Roflumilast (B9302-107) ()
APTA 2217, B9302-107, BY 217, BYK 20869 ()
Arq-151 ()
B-9302-107 ()
Daliresp ()
Zoryve ()
BY217 ()
BY-217 ()
BYK-20869 ()
Daxas ()
BYK20869 ()
Roflumilast ()
Roflumilast-d4 ()
P&D ID
PD009434
CAS
162401-32-3
1398065-69-4
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
2011
Drug Status
approved
Drug indication
Chronic obstructive pulmonary disease
Type-2 diabetes
Atopic dermatitis
Asthma
Max Phase
Phase 4
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 Potent and selective CLK inhibitor (Tocris Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
30
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
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
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
44
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)
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Target
PDE4A1
PDE4A4
PDE4B1
PDE4B2
PDE4C1
PDE4A, PDE4B, PDE4C, PDE4D
PDE4 inhibitor
Phosphodiesterase (PDE)
RSV
PDE
Primary Target
Phosphodiesterases
MOA
Inhibitor
Phosphodiesterase IV Inhibitors
phosphodiesterase inhibitor
Member status
member
Indication
chronic obstructive pulmonary disease (COPD), bronchitis
Source data