| CAS ID: | 372151-71-8 |
| Molecular Formula: | C80H106Cl2N11O27P |
| Molecular Weight: | 1755.7 g/mol |
| Monoisotopic Mass: | 1753.6374 g/mol |
| Class: | Small Molecule |
| Natural Product: | No |
| Other Names: | VIBATIV | TD-6424 | TELAVANCIN | TELAVANCIN HYDROCHLORIDE |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-/m0/s1 | See All |
| InChI Key: | ONUMZHGUFYIKPM-MXNFEBESSA-N | |
| Smiles: | CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3c4Oc5ccc(cc5Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]6C(=O)N[C@H]7C(=O)N[C@@H]([C@H](O)c8ccc(Oc3cc6c4)c(Cl)c8)C(=O)N[C@H](C(=O)O)c9cc(O)c(CNCP(=O)(O)O)c(O)c9c%10cc7ccc%10O)O[C@@H](C)[C@H]1O | See All |
| Molfile: | Download |
Trial Record 1
| ClinicalTrial ID | NCT03172793 | Disease | Cystic fibrosis |
| Phase | Phase 4 | Status | Recruiting |
| First Received | June 1, 2017 | Last Verified | January 17, 2019 |
| Sponsor | Joseph Kuti | ||
| PubChem: | 3081362 |
| ChEMBL: | CHEMBL507870 |