EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:232980 - CP681301

ChEBI IDCHEBI:232980
ChEBI NameCP681301
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC17H22N4O
Net Charge0
Average Mass298.390
Monoisotopic Mass298.17936
SMILESCN(C)c1ccc(CC(=O)/N=c2/cc(C3CCC3)nn2)cc1
InChIInChI=1S/C17H22N4O/c1-21(2)14-8-6-12(7-9-14)10-17(22)18-16-11-15(19-20-16)13-4-3-5-13/h6-9,11,13H,3-5,10H2,1-2H3,(H2,18,19,20,22)
InChIKeyPGTNTDKBRSQDNM-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
CP681301 (CHEBI:232980) has role antineoplastic agent (CHEBI:35610)
CP681301 (CHEBI:232980) has role EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (CHEBI:82665)
CP681301 (CHEBI:232980) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-(dimethylamino)phenyl]acetamide
Citations