Sitagliptin

Basic Information


CAS ID: 486460-32-6
Molecular Formula: C16H15F6N5O
Molecular Weight: 407.3 g/mol
Monoisotopic Mass: 407.1181 g/mol
Class: Small Molecule
Natural Product: No
Other Names: JANUVIA | SITAGLIPTIN | Sitagliptin phosphate | Janumet Xr | MK-0431
Analysis: Drug repositioning mechanism analysis

NH2 O N N N N F F F F F F


Compound Structure and Identifier


InChI: InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 See All
InChI Key: MFFMDFFZMYYVKS-SECBINFHSA-N
Smiles: N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F See All
Molfile: Download


Related Target



Related Fibrosis Property


Trial Record 1

ClinicalTrial ID NCT01257464 Disease Cystic fibrosis
Phase Phase 2 Status Terminated
First Received December 9, 2010 Last Verified March 6, 2014
Sponsor University of British Columbia

Trial Record 2

ClinicalTrial ID NCT01721382 Disease Cystic fibrosis
Phase Phase 1 Status Completed
First Received November 5, 2012 Last Verified June 14, 2016
Sponsor Nemours Children's Clinic

Trial Record 3

ClinicalTrial ID NCT01879228 Disease Cystic fibrosis
Phase Not Applicable Status Completed
First Received June 17, 2013 Last Verified February 26, 2019
Sponsor University of Pennsylvania

Trial Record 4

ClinicalTrial ID NCT00967798 Disease Cystic fibrosis
Phase Phase 3 Status Terminated
First Received August 28, 2009 Last Verified June 25, 2018
Sponsor Emory University

Related Link


PubChem: 4369359
ChEMBL: CHEMBL1422