dafadine O (CHEBI:88333)

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ChEBI Name	dafadine O

ChEBI ID	CHEBI:88333

Definition	An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.

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

Supplier Information

Download	Molfile XML SDF

Formula

C22H23N3O4

Net Charge

Average Mass

393.437

Monoisotopic Mass

393.16886

InChI

InChI=1S/C22H23N3O4/c1-27-18-3-2-4-19(13-18)28-15-20-14-21(24-29-20)22(26)25-11-7-17(8-12-25)16-5-9-23-10-6-16/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3

InChIKey

OQGAXKQYQAYFPV-UHFFFAOYSA-N

SMILES

C1(=NOC(=C1)COC=2C=C(C=CC2)OC)C(=O)N3CCC(CC3)C4=CC=NC=C4

Roles Classification
Biological Role(s):	P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.

ChEBI Ontology
Outgoing	dafadine O (CHEBI:88333) has role P450 inhibitor (CHEBI:50183) dafadine O (CHEBI:88333) is a N-acylpiperidine (CHEBI:48591) dafadine O (CHEBI:88333) is a aromatic amide (CHEBI:62733) dafadine O (CHEBI:88333) is a aromatic ether (CHEBI:35618) dafadine O (CHEBI:88333) is a isoxazoles (CHEBI:55373) dafadine O (CHEBI:88333) is a pyridines (CHEBI:26421) dafadine O (CHEBI:88333) is a ring assembly (CHEBI:36820)

IUPAC Name

{5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone

Registry Number	Type	Source
25668405	Reaxys Registry Number	Reaxys

Citation	Type	Source
22057127	PubMed citation	Europe PMC

Last Modified

22 October 2015