CHEBI:82720 - empagliflozin

ChEBI IDCHEBI:82720
ChEBI Nameempagliflozin
Stars
DefinitionA C-glycosyl compound consisting of a β-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus.
Last Modified22 February 2017
Submittertmorrison
DownloadsMolfile
FormulaC23H27ClO7
Net Charge0
Average Mass450.915
Monoisotopic Mass450.14453
SMILESOC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1
InChIKeyOBWASQILIWPZMG-QZMOQZSNSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
sodium-glucose transport protein subtype 2 inhibitor  Any inhibitor that interferes with the action of sodium-glucose transport protein subtype 2.
insulin-sensitizing drug  An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma).
Applications:
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
hypoglycemic agent  A drug which lowers the blood glucose level.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
insulin-sensitizing drug  An agent which overcomes insulin resistance by activation of the peroxisome proliferator activated receptor gamma (PPAR-gamma).
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
hyperglycemic agent  A drug which increases the blood glucose level.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
empagliflozin (CHEBI:82720) has role anti-inflammatory agent (CHEBI:67079)
empagliflozin (CHEBI:82720) has role anticonvulsant (CHEBI:35623)
empagliflozin (CHEBI:82720) has role antidepressant (CHEBI:35469)
empagliflozin (CHEBI:82720) has role antihypertensive agent (CHEBI:35674)
empagliflozin (CHEBI:82720) has role antineoplastic agent (CHEBI:35610)
empagliflozin (CHEBI:82720) has role antiviral agent (CHEBI:22587)
empagliflozin (CHEBI:82720) has role cardiovascular drug (CHEBI:35554)
empagliflozin (CHEBI:82720) has role hyperglycemic agent (CHEBI:76916)
empagliflozin (CHEBI:82720) has role hypoglycemic agent (CHEBI:35526)
empagliflozin (CHEBI:82720) has role insulin-sensitizing drug (CHEBI:50864)
empagliflozin (CHEBI:82720) has role renoprotective agent (CHEBI:231911)
empagliflozin (CHEBI:82720) has role sodium-glucose transport protein subtype 2 inhibitor (CHEBI:73273)
empagliflozin (CHEBI:82720) is a C-glycosyl compound (CHEBI:20857)
empagliflozin (CHEBI:82720) is a aromatic ether (CHEBI:35618)
empagliflozin (CHEBI:82720) is a monochlorobenzenes (CHEBI:83403)
empagliflozin (CHEBI:82720) is a tetrahydrofuryl ether (CHEBI:47814)
Incoming Relation(s)
Synjardy (CHEBI:90875) has part empagliflozin (CHEBI:82720)
IUPAC Name 
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl)-D-glucitol
INNs  Source
empagliflozinaWHO MedNet
empagliflozineWHO MedNet
Synonyms  Source
1-chloro-4-(glucopyranos-1-yl)-2-(4-(tetrahydrofuran-3-yloxy)benzyl)benzeneChemIDplus
(1S)-1,5-anhydro-1-C-{4-chloro-3-((4-{((3S)-oxolan-3-yl)oxy}phenyl)methyl)phenyl}-D-glucitolChemIDplus
BI 10773ChemIDplus
BI-10773ChemIDplus
BI10773ChemIDplus
empagliflozinKEGG DRUG
Brand Names  Source
Empagliflozin component of glyxambiChEMBL
Empagliflozin component of synjardyChEMBL
Empagliflozin component of trijardy xrChEMBL
JARDIANCEKEGG DRUG
Manual XrefsDatabases
4830DrugCentral
D10459KEGG DRUG
EmpagliflozinWikipedia
Registry NumbersSources
Reaxys:12378768Reaxys
CAS:864070-44-0ChemIDplus
CAS:864070-44-0KEGG DRUG
Citations