CHEBI:90679 - torkinib

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ChEBI Name torkinib
ChEBI ID CHEBI:90679
Definition A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Matthias Ziehm
Supplier Information
Download Molfile XML SDF
Formula C16H16N6O
Net Charge 0
Average Mass 308.338
Monoisotopic Mass 308.139
InChI InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
InChIKey MFAQYJIYDMLAIM-UHFFFAOYSA-N
SMILES N1=CN=C2N(N=C(C=3NC4=C(C3)C=C(C=C4)O)C2=C1N)C(C)C
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): 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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing torkinib (CHEBI:90679) has role antineoplastic agent (CHEBI:35610)
torkinib (CHEBI:90679) has role mTOR inhibitor (CHEBI:68481)
torkinib (CHEBI:90679) is a aromatic amine (CHEBI:33860)
torkinib (CHEBI:90679) is a biaryl (CHEBI:64459)
torkinib (CHEBI:90679) is a hydroxyindoles (CHEBI:84729)
torkinib (CHEBI:90679) is a phenols (CHEBI:33853)
torkinib (CHEBI:90679) is a primary amino compound (CHEBI:50994)
torkinib (CHEBI:90679) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name
2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
Synonyms Sources
2-(4-Amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol ChemIDplus
PP 242 ChEBI
PP-242 ChemIDplus
PP242 ChemIDplus
Manual Xrefs Databases
HMDB0060607 HMDB
P2X PDBeChem
View more database links
Registry Numbers Types Sources
1092351-67-1 CAS Registry Number ChemIDplus
11730137 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23542178 PubMed citation Europe PMC
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Last Modified
05 January 2016