CHEBI:88331 - dafadine D

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ChEBI Name dafadine D
ChEBI ID CHEBI:88331
Definition An N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-trifluoromethylphenoxy)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.
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Formula C22H20F3N3O3
Net Charge 0
Average Mass 431.409
Monoisotopic Mass 431.14568
InChI InChI=1S/C22H20F3N3O3/c23-22(24,25)17-2-1-3-18(12-17)30-14-19-13-20(27-31-19)21(29)28-10-6-16(7-11-28)15-4-8-26-9-5-15/h1-5,8-9,12-13,16H,6-7,10-11,14H2
InChIKey WUHRBNYQSDVHPG-UHFFFAOYSA-N
SMILES C1(=NOC(=C1)COC=2C=CC=C(C2)C(F)(F)F)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.
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ChEBI Ontology
Outgoing dafadine D (CHEBI:88331) has role P450 inhibitor (CHEBI:50183)
dafadine D (CHEBI:88331) is a N-acylpiperidine (CHEBI:48591)
dafadine D (CHEBI:88331) is a aromatic amide (CHEBI:62733)
dafadine D (CHEBI:88331) is a aromatic ether (CHEBI:35618)
dafadine D (CHEBI:88331) is a isoxazoles (CHEBI:55373)
dafadine D (CHEBI:88331) is a organofluorine compound (CHEBI:37143)
dafadine D (CHEBI:88331) is a pyridines (CHEBI:26421)
IUPAC Name
[4-(pyridin-4-yl)piperidin-1-yl](5-{[3-(trifluoromethyl)phenoxy]methyl}-1,2-oxazol-3-yl)methanone
Registry Number Type Source
25668403 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22057127 PubMed citation Europe PMC
Last Modified
15 July 2016