CHEBI:167662 - LY3009120

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ChEBI Name LY3009120
ChEBI ID CHEBI:167662
Definition A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAFV600E, BRAFWT and CRAFWT (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
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Formula C23H29FN6O
Net Charge 0
Average Mass 424.524
Monoisotopic Mass 424.23869
InChI InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)
InChIKey HHCBMISMPSAZBF-UHFFFAOYSA-N
SMILES CNC1=NC2=NC(C)=C(C=C2C=N1)C1=CC(NC(=O)NCCC(C)(C)C)=C(F)C=C1C
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): necroptosis inhibitor
Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
B-Raf inhibitor
A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
autophagy inducer
Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing LY3009120 (CHEBI:167662) has role antineoplastic agent (CHEBI:35610)
LY3009120 (CHEBI:167662) has role apoptosis inducer (CHEBI:68495)
LY3009120 (CHEBI:167662) has role autophagy inducer (CHEBI:138880)
LY3009120 (CHEBI:167662) has role B-Raf inhibitor (CHEBI:75047)
LY3009120 (CHEBI:167662) has role necroptosis inhibitor (CHEBI:167704)
LY3009120 (CHEBI:167662) is a aminotoluene (CHEBI:22531)
LY3009120 (CHEBI:167662) is a aromatic amine (CHEBI:33860)
LY3009120 (CHEBI:167662) is a biaryl (CHEBI:64459)
LY3009120 (CHEBI:167662) is a monofluorobenzenes (CHEBI:83575)
LY3009120 (CHEBI:167662) is a phenylureas (CHEBI:134043)
LY3009120 (CHEBI:167662) is a pyridopyrimidine (CHEBI:38932)
LY3009120 (CHEBI:167662) is a secondary amino compound (CHEBI:50995)
IUPAC Name
1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
Synonyms Sources
DP 4978 ChemIDplus
DP-4978 ChemIDplus
DP4978 ChEBI
LY 3009120 ChemIDplus
LY-3009120 ChemIDplus
N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea ChEBI
Manual Xref Database
4Z5 PDBeChem
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Registry Number Type Source
1454682-72-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
18 March 2021