CHEBI:67271 - MK-2206

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ChEBI Name MK-2206
ChEBI ID CHEBI:67271
Definition An organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted at positions 8 and 9 respectively by 4-(1-aminocyclobutyl)phenyl and phenyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H21N5O
Net Charge 0
Average Mass 407.46710
Monoisotopic Mass 407.175
InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
InChIKey ULDXWLCXEDXJGE-UHFFFAOYSA-N
SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1
Roles Classification
Biological Role(s): EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
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ChEBI Ontology
Outgoing MK-2206 (CHEBI:67271) has functional parent 1,6-naphthyridine (CHEBI:36627)
MK-2206 (CHEBI:67271) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
MK-2206 (CHEBI:67271) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
Manual Xref Database
LSM-1057 LINCS
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Registry Number Type Source
18391321 Reaxys Registry Number Reaxys
Last Modified
24 February 2016