CHEBI:82713 - SB220025

ChEBI IDCHEBI:82713
ChEBI NameSB220025
Stars
DefinitionAm member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.
Last Modified25 September 2014
Submittermziehm
DownloadsMolfile
FormulaC18H19FN6
Net Charge0
Average Mass338.390
Monoisotopic Mass338.16552
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
InChIKeyVSPFURGQAYMVAN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
SB220025 (CHEBI:82713) has role angiogenesis inhibitor (CHEBI:48422)
SB220025 (CHEBI:82713) has role anti-inflammatory agent (CHEBI:67079)
SB220025 (CHEBI:82713) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
SB220025 (CHEBI:82713) is a aminopyrimidine (CHEBI:38338)
SB220025 (CHEBI:82713) is a imidazoles (CHEBI:24780)
SB220025 (CHEBI:82713) is a organofluorine compound (CHEBI:37143)
SB220025 (CHEBI:82713) is a piperidines (CHEBI:26151)
IUPAC Name 
4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
Synonyms  Source
SB 220025ChEBI
SB-220025ChEBI
Manual XrefsDatabases
DB04338DrugBank
SB4PDBeChem
Registry NumbersSources
Reaxys:9007200Reaxys
Citations