CHEBI:90524 - PI-103

ChEBI IDCHEBI:90524
ChEBI NamePI-103
Stars
DefinitionAn organic heterotricyclic compound that is pyrido[3',2':4,5]furo[3,2-d]pyrimidine substituted at positions 2 and 4 by 3-hydroxyphenyl and morpholin-4-yl groups respectively. A dual-kinase inhibitor with anti-cancer properties.
Last Modified8 July 2016
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FormulaC19H16N4O3
Net Charge0
Average Mass348.362
Monoisotopic Mass348.12224
SMILESOc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
InChIInChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
InChIKeyTUVCWJQQGGETHL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mTOR inhibitor  A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor  An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PI-103 (CHEBI:90524) has role antineoplastic agent (CHEBI:35610)
PI-103 (CHEBI:90524) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
PI-103 (CHEBI:90524) has role mTOR inhibitor (CHEBI:68481)
PI-103 (CHEBI:90524) is a aromatic amine (CHEBI:33860)
PI-103 (CHEBI:90524) is a morpholines (CHEBI:38785)
PI-103 (CHEBI:90524) is a organic heterotricyclic compound (CHEBI:26979)
PI-103 (CHEBI:90524) is a phenols (CHEBI:33853)
PI-103 (CHEBI:90524) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol
Synonyms  Source
pi-103ChemIDplus
PIK-103ChemIDplus
Manual XrefsDatabases
LSM-1126LINCS
X6KPDBeChem
Registry NumbersSources
Reaxys:11065715Reaxys
CAS:371935-74-9ChemIDplus
Citations