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CHEBI:139047 - GSK2656157

ChEBI IDCHEBI:139047
ChEBI NameGSK2656157
Stars
DefinitionA pyrrolopyrimidine that is 7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine which has been substituted at position 5 by a 4-fluoro-2,3-dihydro-1H-indol-5-yl group, the nitrogen of which has been acylated by a (6-methylpyridin-2-yl)acetyl group. An orally bioavailable PERK inhibitor.
Last Modified7 March 2018
SubmitterTheOtherDave
DownloadsMolfile
FormulaC23H21FN6O
Net Charge0
Average Mass416.460
Monoisotopic Mass416.17609
SMILESCc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1
InChIInChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)
InChIKeyPRWSIEBRGXYXAJ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
PERK inhibitor  An EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor that inhibits the expression of protein kinase RNA-like endoplasmic reticulum kinase.
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
GSK2656157 (CHEBI:139047) has role antineoplastic agent (CHEBI:35610)
GSK2656157 (CHEBI:139047) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
GSK2656157 (CHEBI:139047) has role PERK inhibitor (CHEBI:139055)
GSK2656157 (CHEBI:139047) is a biaryl (CHEBI:64459)
GSK2656157 (CHEBI:139047) is a indoles (CHEBI:24828)
GSK2656157 (CHEBI:139047) is a methylpyridines (CHEBI:25340)
GSK2656157 (CHEBI:139047) is a organofluorine compound (CHEBI:37143)
GSK2656157 (CHEBI:139047) is a pyrrolopyrimidine (CHEBI:38670)
GSK2656157 (CHEBI:139047) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone
Synonyms  Source
1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydro-1H-indol-1-yl]-2-(6-methyl-2-pyridinyl)-ethanoneSUBMITTER
PERK inhibitorSUBMITTER
Registry NumbersSources
Reaxys:21981813Reaxys
CAS:1337532-29-2SUBMITTER
Citations