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CHEBI:131196 - OSU-03012

Default Structure
ChEBI IDCHEBI:131196
ChEBI NameOSU-03012
Stars
DefinitionA member of the class of pyrazoles that is N-[4-(pyrazol-1-yl)phenyl]glycinamide in which the pyrazole ring is substituted at positions 3 and 5 by trifluoromethyl and phenanthrene-2-yl groups respectively.
Last Modified8 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC26H19F3N4O
Net Charge0
Average Mass460.459
Monoisotopic Mass460.15110
SMILESNCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
InChIKeyYULUCECVQOCQFQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
OSU-03012 (CHEBI:131196) has role antineoplastic agent (CHEBI:35610)
OSU-03012 (CHEBI:131196) has role apoptosis inducer (CHEBI:68495)
OSU-03012 (CHEBI:131196) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
OSU-03012 (CHEBI:131196) is a antibiotic antifungal drug (CHEBI:87113)
OSU-03012 (CHEBI:131196) is a aromatic amide (CHEBI:62733)
OSU-03012 (CHEBI:131196) is a glycine derivative (CHEBI:24373)
OSU-03012 (CHEBI:131196) is a organofluorine compound (CHEBI:37143)
OSU-03012 (CHEBI:131196) is a phenanthrenes (CHEBI:25961)
OSU-03012 (CHEBI:131196) is a pyrazoles (CHEBI:26410)
IUPAC Name 
N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide
Synonyms  Source
AR 12ChemIDplus
AR-12ChemIDplus
OSU 03012ChemIDplus
PDK1 inhibitor AR-12ChemIDplus
Manual XrefsDatabases
OSU-03012Wikipedia
Registry NumbersSources
Reaxys:11001693Reaxys
CAS:742112-33-0ChemIDplus
Citations