INS37217

Basic Information


CAS ID: 211448-85-0
Molecular Formula: C18H27N5O21P4
Molecular Weight: 773.3 g/mol
Monoisotopic Mass: 773.0149 g/mol
Class: Small Molecule
Natural Product: No
Other Names: DENUFOSOL TETRASODIUM | DENUFOSOL | INS37217
Analysis: Drug repositioning mechanism analysis

NH2 N O N HO O P O OH O P O OH O P O OH O P O OH O O HO OH N O NH O O


Compound Structure and Identifier


InChI: InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1 See All
InChI Key: FPNPSEMJLALQSA-MIYUEGBISA-N
Smiles: NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N4C=CC(=O)NC4=O)O2 See All
Molfile: Download


Related Target



Related Fibrosis Property


Trial Record 1

ClinicalTrial ID NCT00056147 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received March 7, 2003 Last Verified January 29, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 2

ClinicalTrial ID NCT00625612 Disease Cystic fibrosis
Phase Phase 3 Status Completed
First Received February 28, 2008 Last Verified November 2, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 3

ClinicalTrial ID NCT00130182 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received August 15, 2005 Last Verified May 22, 2013
Sponsor Merck Sharp & Dohme Corp.

Trial Record 4

ClinicalTrial ID NCT00103714 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received February 15, 2005 Last Verified October 20, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 5

ClinicalTrial ID NCT00357279 Disease Cystic fibrosis
Phase Phase 3 Status Completed
First Received July 27, 2006 Last Verified November 4, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 6

ClinicalTrial ID NCT00425165 Disease Cystic fibrosis
Phase Phase 2 Status Terminated
First Received January 22, 2007 Last Verified April 3, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 7

ClinicalTrial ID NCT00034515 Disease Cystic fibrosis
Phase Phase 1,Phase 2 Status Completed
First Received April 30, 2002 Last Verified February 16, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 8

ClinicalTrial ID NCT00846781 Disease Cystic fibrosis
Phase Phase 3 Status Terminated
First Received February 19, 2009 Last Verified November 6, 2015
Sponsor Merck Sharp & Dohme Corp.

Trial Record 9

ClinicalTrial ID NCT01181622 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received August 13, 2010 Last Verified January 13, 2015
Sponsor Merck Sharp & Dohme Corp.

Related Link


PubChem: 9875516
ChEMBL: CHEMBL507282