CHEBI:78331 - PP2

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ChEBI Name PP2
ChEBI ID CHEBI:78331
Definition A member of the class of pyrazolopyrimidine that is pyrazolo[3,4-d]pyrimidin-4-amine bearing additional tert-butyl and 4-chlorophenyl substituents at positions 1 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C15H16ClN5
Net Charge 0
Average Mass 301.77400
Monoisotopic Mass 301.109
InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
InChIKey PBBRWFOVCUAONR-UHFFFAOYSA-N
SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
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 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Application(s): beta-adrenergic antagonist
An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
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ChEBI Ontology
Outgoing PP2 (CHEBI:78331) has role β-adrenergic antagonist (CHEBI:35530)
PP2 (CHEBI:78331) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
PP2 (CHEBI:78331) is a aromatic amine (CHEBI:33860)
PP2 (CHEBI:78331) is a monochlorobenzenes (CHEBI:83403)
PP2 (CHEBI:78331) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name
1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Manual Xrefs Databases
LSM-4153 LINCS
PP2 PDBeChem
PP2_(kinase_inhibitor) Wikipedia
View more database links
Registry Number Type Source
9409964 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24183378 PubMed citation Europe PMC
24566462 PubMed citation Europe PMC
24735922 PubMed citation SUBMITTER
Last Modified
25 February 2016