| Stereochemistry | ABSOLUTE |
| Molecular Formula | C73H112N22O16 |
| Molecular Weight | 1553.8082 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CCCN1C(=O)[C@@]3([H])CCCN3C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C45)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC(=O)[C@@]([H])(NC(=O)[C@H](CC6=CNC7=CC=CC=C67)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)[C@@H](C)CC
InChI
InChIKey=RIDRXGOBXZLKHZ-NZUANIILSA-N
InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1
| Molecular Formula | C73H112N22O16 |
| Molecular Weight | 1553.8082 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Murepavadin is the first in class of the outer membrane protein-targeting antibiotics (OMPTA) and a pathogen-specific peptidomimetic antibacterial with a novel, nonlytic mechanism of action targeting Pseudomonas aeruginosa. Murepavadin is being developed by Polyphor Ltd for the treatment of hospital-acquired bacterial pneumonia (HABP) and ventilator-associated bacterial pneumonia. In preclinical studies, Murepavadin was highly effective against Pseudomonas aeruginosa, without evidence of generating resistance. Murepavadin has been evaluated in 8 clinical studies. Murepavadin penetrates into lung tissue and showed encouraging results in a Phase II study when given on top of standard of care in patients with Ventilator-Associated Bacterial Pneumonia. The phase III clinical trial was initiated in 2018 to assess the efficacy, safety, and tolerability of Murepavadin in adult subjects with ventilator-associated bacterial pneumonia. But in May 2019, Polyphor Ltd. suspended the global phase III trial for safety data review.
