EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88249 - PD 0325901

ChEBI IDCHEBI:88249
ChEBI NamePD 0325901
Stars
DefinitionA hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).
Last Modified24 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H14F3IN2O4
Net Charge0
Average Mass482.196
Monoisotopic Mass481.99504
SMILESO=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
InChIKeySUDAHWBOROXANE-SECBINFHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.12.2 (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)
PD 0325901 (CHEBI:88249) has role antineoplastic agent (CHEBI:35610)
PD 0325901 (CHEBI:88249) has role EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor (CHEBI:88286)
PD 0325901 (CHEBI:88249) is a difluorobenzene (CHEBI:38582)
PD 0325901 (CHEBI:88249) is a hydroxamic acid ester (CHEBI:75606)
PD 0325901 (CHEBI:88249) is a monofluorobenzenes (CHEBI:83575)
PD 0325901 (CHEBI:88249) is a organoiodine compound (CHEBI:37142)
PD 0325901 (CHEBI:88249) is a propane-1,2-diols (CHEBI:26284)
PD 0325901 (CHEBI:88249) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
Synonyms  Source
PD-0325901ChEBI
PD0325901ChemIDplus
PD-325901ChemIDplus
PD 325901ChemIDplus
Manual XrefsDatabases
LSM-1101LINCS
Registry NumbersSources
Reaxys:11343179Reaxys
CAS:391210-10-9ChemIDplus
Citations