| CAS ID: | 1404-90-6 |
| Molecular Formula: | C66H75Cl2N9O24 |
| Molecular Weight: | 1449.3 g/mol |
| Monoisotopic Mass: | 1447.4302 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | VANCOMYCIN HYDROCHLORIDE | Vancoled | Vancor | VANCOLED | VANCOCIN HYDROCHLORIDE | VANCOCIN | Vancomycin | VANCOCIN MATRIGEL | VANCOR | Vanoled |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1 | See All |
| InChI Key: | MYPYJXKWCTUITO-LYRMYLQWSA-N | |
| Smiles: | CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]6NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2 | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT01746095 | Disease | Cystic fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | December 10, 2012 | Last Verified | December 9, 2014 |
| Sponsor | Savara Inc. | ||
Trial Record 2
| ClinicalTrial ID | NCT01509339 | Disease | Cystic fibrosis |
| Phase | Phase 1 | Status | Unknown |
| First Received | January 13, 2012 | Last Verified | January 29, 2013 |
| Sponsor | Case Western Reserve University | ||
Trial Record 3
| ClinicalTrial ID | NCT03181932 | Disease | Cystic fibrosis |
| Phase | Phase 3 | Status | Recruiting |
| First Received | June 9, 2017 | Last Verified | January 4, 2019 |
| Sponsor | Savara Inc. | ||
Trial Record 4
| ClinicalTrial ID | NCT01594827 | Disease | Cystic fibrosis |
| Phase | Phase 2 | Status | Completed |
| First Received | May 9, 2012 | Last Verified | February 26, 2019 |
| Sponsor | Johns Hopkins University | ||
Trial Record 5
| ClinicalTrial ID | NCT01537666 | Disease | Cystic fibrosis |
| Phase | Phase 1 | Status | Completed |
| First Received | February 23, 2012 | Last Verified | March 31, 2014 |
| Sponsor | Savara Inc. | ||
Trial Record 6
| ClinicalTrial ID | NCT01820026 | Disease | Liver fibrosis |
| Phase | Phase 4 | Status | Unknown |
| First Received | March 28, 2013 | Last Verified | May 29, 2015 |
| Sponsor | University of Roma La Sapienza | ||
| PubChem: | 14969 |
| ChEMBL: | CHEMBL262777 |