EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94793 - pimasertib

ChEBI IDCHEBI:94793
ChEBI Namepimasertib
Stars
DefinitionA secondary carboxamide resulting from the formal condensation of the carboxy group of 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylic acid with the amino group of (2S)-3-aminopropane-1,2-diol. It is a potent inhibitor of the mitogen-activated protein kinases MEK1 and MEK2 with potential antineoplastic activity.
Last Modified14 June 2024
DownloadsMolfile
FormulaC15H15FIN3O3
Net Charge0
Average Mass431.205
Monoisotopic Mass431.01422
SMILESO=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
InChIKeyVIUAUNHCRHHYNE-JTQLQIEISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor  An EC 2.7.12.* [dual-specificity kinases (those acting on Ser/Thr and Tyr residues)] inhibitor that inhibits the action of mitogen-activated protein kinase kinase (EC 2.7.12.2).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pimasertib (CHEBI:94793) has role antineoplastic agent (CHEBI:35610)
pimasertib (CHEBI:94793) has role apoptosis inducer (CHEBI:68495)
pimasertib (CHEBI:94793) has role EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor (CHEBI:88286)
pimasertib (CHEBI:94793) is a aminopyridine (CHEBI:38207)
pimasertib (CHEBI:94793) is a difluorobenzene (CHEBI:38582)
pimasertib (CHEBI:94793) is a diol (CHEBI:23824)
pimasertib (CHEBI:94793) is a primary alcohol (CHEBI:15734)
pimasertib (CHEBI:94793) is a pyridinecarboxamide (CHEBI:25529)
pimasertib (CHEBI:94793) is a secondary alcohol (CHEBI:35681)
pimasertib (CHEBI:94793) is a secondary carboxamide (CHEBI:140325)
pimasertib (CHEBI:94793) is a substituted aniline (CHEBI:48975)
IUPAC Name 
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
INNs  Source
pimasertibumWHO MedNet
pimasertibWHO MedNet
pimasertibWHO MedNet
pimasertibWHO MedNet
Synonyms  Source
N-[(2S)-2,3-dihydroxypropyl]-3-(2-fluoro-4-iodoanilino)-4-pyridinecarboxamideChEBI
AS703026ChEBI
AS-703026ChEBI
AS 703026ChEBI
MSC-1236369BChEBI
MSC 1936369BChEBI
Manual XrefsDatabases
LSM-5946LINCS
DB14904DrugBank
D10426KEGG DRUG
QOAPDBeChem
Registry NumbersSources
CAS:1236699-92-5KEGG DRUG
Citations