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CHEBI:50915 - PP121

ChEBI IDCHEBI:50915
ChEBI NamePP121
Stars
DefinitionA pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine which is substituted by a cyclopentyl, 1H-pyrrolo[2,3-b]pyridin-5-yl, and amino groups at positions 1, 3 and 4, respectively. It is a dual inhibitor of tyrosine and phosphoinositide kinases and exhibits anti-cancer properties.
Last Modified21 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H17N7
Net Charge0
Average Mass319.372
Monoisotopic Mass319.15454
SMILESNc1ncnc2c1c(-c1cnc3nccc3c1)nn2C1CCCC1
InChIInChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22)
InChIKeyNVRXTLZYXZNATH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
PP121 (CHEBI:50915) has role antineoplastic agent (CHEBI:35610)
PP121 (CHEBI:50915) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
PP121 (CHEBI:50915) has role tyrosine kinase inhibitor (CHEBI:38637)
PP121 (CHEBI:50915) is a aromatic amine (CHEBI:33860)
PP121 (CHEBI:50915) is a cyclopentanes (CHEBI:23493)
PP121 (CHEBI:50915) is a pyrazolopyrimidine (CHEBI:38669)
PP121 (CHEBI:50915) is a pyrrolopyridine (CHEBI:46771)
IUPAC Name 
1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonym  Source
PP-121ChemIDplus
Manual XrefsDatabases
KS1PDBeChem
DB08052DrugBank
Registry NumbersSources
CAS:1092788-83-4ChemIDplus
Citations