roflumilast (CHEBI:47657)

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ChEBI Name	roflumilast

ChEBI ID	CHEBI:47657

Definition	A benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used for treatment of bronchial asthma and chronic obstructive pulmonary disease.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C17H14Cl2F2N2O3

Net Charge

Average Mass

403.20700

Monoisotopic Mass

402.03495

InChI

InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)

InChIKey

MNDBXUUTURYVHR-UHFFFAOYSA-N

SMILES

FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl

Roles Classification
Biological Role(s):	phosphodiesterase IV inhibitor An EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor that specifically blocks the action of phosphodiesterase IV.

Application(s):	anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology
Outgoing	roflumilast (CHEBI:47657) has role anti-asthmatic drug (CHEBI:49167) roflumilast (CHEBI:47657) has role phosphodiesterase IV inhibitor (CHEBI:68844) roflumilast (CHEBI:47657) is a aromatic ether (CHEBI:35618) roflumilast (CHEBI:47657) is a benzamides (CHEBI:22702) roflumilast (CHEBI:47657) is a chloropyridine (CHEBI:39173) roflumilast (CHEBI:47657) is a cyclopropanes (CHEBI:51454) roflumilast (CHEBI:47657) is a organofluorine compound (CHEBI:37143)

IUPAC Name

3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide

Brand Name	Source
Daliresp	KEGG DRUG

Last Modified

22 February 2017