CHEBI:50915 - PP121

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ChEBI Name PP121
ChEBI ID CHEBI:50915
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H17N7
Net Charge 0
Average Mass 319.372
Monoisotopic Mass 319.15454
InChI InChI=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)
InChIKey NVRXTLZYXZNATH-UHFFFAOYSA-N
SMILES C1(=NC=NC2=C1C(=NN2C3CCCC3)C=4C=NC=5NC=CC5C4)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-121 ChemIDplus
Manual Xrefs Databases
DB08052 DrugBank
KS1 PDBeChem
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Registry Number Type Source
1092788-83-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18849971 PubMed citation Europe PMC
23596204 PubMed citation Europe PMC
24867098 PubMed citation Europe PMC
26056008 PubMed citation Europe PMC
26235881 PubMed citation Europe PMC
26514495 PubMed citation Europe PMC
27135311 PubMed citation Europe PMC
27886301 PubMed citation Europe PMC
31562255 PubMed citation Europe PMC
Last Modified
21 November 2019