CHEBI:90542 - 4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide

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ChEBI Name 4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
ChEBI ID CHEBI:90542
ChEBI ASCII Name 4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
Definition A biaryl resulting from the formal oxidative coupling of the 6 position of 3-(piperidin-4-yl)-1,2-benzoxazole with the 3 position of p-toluic acid and subsequent condensation of the carboxy group with the primary amino group of 3-(morpholin-4-yl)aniline to give the corresponding carboxamide. An inhibitor of p38-α MAP kinase.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
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Formula C30H32N4O3
Net Charge 0
Average Mass 496.601
Monoisotopic Mass 496.24744
InChI InChI=1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35)
InChIKey UVUGBBNUQBSROH-UHFFFAOYSA-N
SMILES O=C(NC1=CC(=CC=C1)N2CCOCC2)C3=CC=C(C)C(=C3)C4=CC=C5C(ON=C5C6CCNCC6)=C4
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
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ChEBI Ontology
Outgoing 4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a 1,2-benzoxazoles (CHEBI:51545)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a benzamides (CHEBI:22702)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a biaryl (CHEBI:64459)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a morpholines (CHEBI:38785)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a piperidines (CHEBI:26151)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a secondary amino compound (CHEBI:50995)
IUPAC Name
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
Synonym Source
4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide ChEBI
Manual Xref Database
19B PDBeChem
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Registry Number Type Source
12282858 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18789685 PubMed citation Europe PMC
Last Modified
26 November 2015