CHEBI:91450 - sapanisertib

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ChEBI Name sapanisertib
ChEBI ID CHEBI:91450
Definition A 1,3-benzoxazole substituted by amino and 4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl groups at positions 2 and 5, respectively. It is a ATP-competitive inhibitor of mTORC1 and mTORC2 that exhibits antineoplastic activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H15N7O
Net Charge 0
Average Mass 309.333
Monoisotopic Mass 309.13381
InChI InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
InChIKey GYLDXIAOMVERTK-UHFFFAOYSA-N
SMILES CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC2=C(OC(N)=N2)C=C1
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.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sapanisertib (CHEBI:91450) has role antineoplastic agent (CHEBI:35610)
sapanisertib (CHEBI:91450) has role apoptosis inducer (CHEBI:68495)
sapanisertib (CHEBI:91450) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
sapanisertib (CHEBI:91450) has role mTOR inhibitor (CHEBI:68481)
sapanisertib (CHEBI:91450) is a 1,3-benzoxazoles (CHEBI:51548)
sapanisertib (CHEBI:91450) is a aromatic amine (CHEBI:33860)
sapanisertib (CHEBI:91450) is a primary amino compound (CHEBI:50994)
sapanisertib (CHEBI:91450) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name
3-(2-amino-1,3-benzoxazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
INNs Sources
sapanisertib WHO MedNet
sapanisertib WHO MedNet
sapanisertib WHO MedNet
sapanisertibum WHO MedNet
Synonyms Sources
3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChEBI
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine ChEBI
CB-228 ChEBI
FTH-003 ChEBI
INK 128 ChEBI
INK-128 ChEBI
INK128 DrugBank
MLN 0128 ChEBI
MLN-0128 ChEBI
MLN0128 DrugBank
TAK 228 ChEBI
TAK-228 DrugBank
TAK228 ChEBI
Manual Xrefs Databases
D11183 KEGG DRUG
DB11836 DrugBank
FE5 PDBeChem
HMDB0244472 HMDB
LSM-1206 LINCS
Sapanisertib Wikipedia
View more database links
Registry Number Type Source
1224844-38-5 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
24 June 2024