roflumilast (CHEBI:47657)

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CHEBI:47657 - roflumilast

ChEBI ID	CHEBI:47657
ChEBI Name	roflumilast
Stars
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.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C17H14Cl2F2N2O3
Net Charge	0
Average Mass	403.212
Monoisotopic Mass	402.03495
SMILES	O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
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

Wikipedia

Roles Classification

Biological Roles:

phosphodiesterase IV inhibitor An EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor that specifically blocks the action of phosphodiesterase IV.

anti-obesity agent Any substance which is used to reduce or control weight.

Applications:

anti-asthmatic agent Any compound that has anti-asthmatic effects.

dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin.

hypoglycemic agent A drug which lowers the blood glucose level.

antipsoriatic A drug used to treat psoriasis.

anti-asthmatic drug A drug used to treat asthma.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.

antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.

ChEBI Ontology

Outgoing Relation(s)
	roflumilast (CHEBI:47657) has role anti-asthmatic agent (CHEBI:65023)
	roflumilast (CHEBI:47657) has role anti-asthmatic drug (CHEBI:49167)
	roflumilast (CHEBI:47657) has role anti-obesity agent (CHEBI:74518)
	roflumilast (CHEBI:47657) has role antidepressant (CHEBI:35469)
	roflumilast (CHEBI:47657) has role antineoplastic agent (CHEBI:35610)
	roflumilast (CHEBI:47657) has role antipsoriatic (CHEBI:50748)
	roflumilast (CHEBI:47657) has role antipsychotic agent (CHEBI:35476)
	roflumilast (CHEBI:47657) has role dermatologic drug (CHEBI:50177)
	roflumilast (CHEBI:47657) has role hypoglycemic agent (CHEBI:35526)
	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

INNs	Source
roflumilast	WHO MedNet
roflumilast	WHO MedNet
roflumilast	KEGG DRUG
roflumilastum	WHO MedNet

Synonyms	Source
Arq-151	ChEMBL
ARQ-154 (ROFLUMILAST FOAM)	ChEMBL
B-9302-107	ChEMBL
BY-217	ChEMBL
BYK-20869	ChEMBL
Zoryve	ChEMBL

Brand Name	Source
Daliresp	KEGG DRUG

Manual Xrefs	Databases
3531	DrugCentral
D05744	KEGG DRUG
ROF	PDBeChem
Roflumilast	Wikipedia
US2008181876	Patent
US2008221111	Patent
WO2008017827	Patent
WO2008090355	Patent

Registry Numbers	Sources
Reaxys:9802592	Reaxys
CAS:162401-32-3	KEGG DRUG
CAS:162401-32-3	ChemIDplus

Citations