| CAS ID: | 1066-17-7 |
| Molecular Formula: | C52H98N16O13 |
| Molecular Weight: | 1155.5 g/mol |
| Monoisotopic Mass: | g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,41?,42+/m1/s1 | See All |
| InChI Key: | YKQOSKADJPQZHB-RGYSVOEGSA-N | |
| Smiles: | CCC(C)CCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O | See All |
| Molfile: |
Trial Record 1
| ClinicalTrial ID | NCT02489955 | Disease | Cystic fibrosis |
| Phase | Not Applicable | Status | Unknown |
| First Received | July 3, 2015 | Last Verified | July 3, 2015 |
| Sponsor | The Leeds Teaching Hospitals NHS Trust | ||
Trial Record 2
| ClinicalTrial ID | NCT01035853 | Disease | Cystic fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | December 21, 2009 | Last Verified | March 21, 2013 |
| Sponsor | University of Jena | ||
Trial Record 3
| ClinicalTrial ID | NCT01537614 | Disease | Cystic fibrosis |
| Phase | Phase 1 | Status | Completed |
| First Received | February 23, 2012 | Last Verified | October 11, 2016 |
| Sponsor | Poitiers University Hospital | ||
Trial Record 4
| ClinicalTrial ID | NCT02918409 | Disease | Cystic fibrosis |
| Phase | Phase 4 | Status | Recruiting |
| First Received | September 29, 2016 | Last Verified | March 13, 2019 |
| Sponsor | National Jewish Health | ||
Trial Record 5
| ClinicalTrial ID | NCT03341741 | Disease | Cystic fibrosis |
| Phase | Phase 3 | Status | Completed |
| First Received | November 14, 2017 | Last Verified | November 14, 2017 |
| Sponsor | University Hospital Tuebingen | ||
| PubChem: | 44144393 |
| ChEMBL: |