roflumilast

Ligand id: 6962

Name: roflumilast

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 60.45
Molecular weight 402.03
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (2010), FDA (2011))
IUPAC Name
3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
International Nonproprietary Names
INN number INN
7598 roflumilast
Synonyms
BY-217 | BYK-20869 | Daliresp® | Daxas®
Comments
Roflumilast is a phosphodiesterase-4 inhibitor.
Database Links
CAS Registry No. 162401-32-3
ChEMBL Ligand CHEMBL193240
DrugBank Ligand DB01656
GtoPdb PubChem SID 178103543
PubChem CID 449193
RCSB PDB Ligand ROF
Search Google for chemical match using the InChIKey MNDBXUUTURYVHR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MNDBXUUTURYVHR
Search PubMed clinical trials roflumilast
Search PubMed titles roflumilast
Search PubMed titles/abstracts roflumilast
Search UniChem for chemical match using the InChIKey MNDBXUUTURYVHR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MNDBXUUTURYVHR
SynPHARM 79214 (in complex with phosphodiesterase 4B)
Wikipedia Roflumilast