Lancovutide

Basic Information


CAS ID: 65454-15-1
Molecular Formula: C89H127N23O25S3
Molecular Weight: 2015.3 g/mol
Monoisotopic Mass: 2013.854 g/mol
Class: Small Molecule
Natural Product: No
Other Names: LANCOVUTIDE
Analysis: Drug repositioning mechanism analysis

O NH O NH O NH S O NH S O NH O NH O NH O N O NH O NH NH O NH O NH O S NH O NH O NH O NH O O HO OH O NH2 O NH NH2 O HO NH2 NH2 O NH2


Compound Structure and Identifier


InChI: InChI=1S/C89H127N23O25S3/c1-45(2)68-85(131)107-60-43-138-42-59(105-77(123)53(28-29-63(93)113)101-76(122)52(25-14-16-31-90)100-73(119)51(92)41-139-46(3)69(86(132)102-54(88(134)135)26-15-17-32-91)110-80(126)58(38-64(94)114)99-66(116)39-96-84(130)71(111-82(60)128)72(118)89(136)137)81(127)106-61-44-140-47(4)70(87(133)104-57(78(124)108-68)37-50-23-12-7-13-24-50)109-79(125)56(36-49-21-10-6-11-22-49)103-83(129)62-27-18-34-112(62)67(117)40-97-74(120)55(35-48-19-8-5-9-20-48)98-65(115)30-33-95-75(61)121/h5-13,19-24,45-47,51-62,68-72,118H,14-18,25-44,90-92H2,1-4H3,(H2,93,113)(H2,94,114)(H,95,121)(H,96,130)(H,97,120)(H,98,115)(H,99,116)(H,100,119)(H,101,122)(H,102,132)(H,103,129)(H,104,133)(H,105,123)(H,106,127)(H,107,131)(H,108,124)(H,109,125)(H,110,126)(H,111,128)(H,134,135)(H,136,137)/t46?,47?,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-,72?/m0/s1 See All
InChI Key: HDUAMDNSCQRLPD-SBWMWKCHSA-N
Smiles: CC1C2C(=O)NC(C(=O)NC(C(=O)NC3CSCC(C(=O)NC(CS1)C(=O)NCCC(=O)NC(C(=O)NCC(=O)N4CCCC4C(=O)NC(C(=O)N2)CC5=CC=CC=C5)CC6=CC=CC=C6)NC(=O)C(NC(=O)C(NC(=O)C(CSC(C(NC(=O)C(NC(=O)CNC(=O)C(NC3=O)C(C(=O)O)O)CC(=O)N)C(=O)NC(CCCCN)C(=O)O)C)N)CCCCN)CCC(=O)N)C(C)C)CC7=CC=CC=C7 See All
Molfile:


Related Target



Related Fibrosis Property


Trial Record 1

ClinicalTrial ID NCT00671736 Disease Cystic fibrosis
Phase Phase 2 Status Completed
First Received May 5, 2008 Last Verified August 27, 2009
Sponsor AOP Orphan Pharmaceuticals AG

Related Link


PubChem:
ChEMBL: CHEMBL2108327