| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H50N6O8S |
| Molecular Weight | 774.925 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCCC=C[C@@H]5C[C@]5(NC4=O)C(O)=O)NC(=O)OC6CCCC6)=CC(=N2)C7=CSC(NC(C)C)=N7
InChI
InChIKey=PJZPDFUUXKKDNB-KNINVFKUSA-N
InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
| Molecular Formula | C40H50N6O8S |
| Molecular Weight | 774.925 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Ciluprevir (BILN-2061) is a selective inhibitor of the HCV NS3 serine protease, which was developed by Boehringer Ingelheim for the treatment of hepatitis C infection. The drug was discontinued in phase II due to adverse events such as cardiac toxicity (demonstrated in animals). In the cell-based replicon assay, ciluprevir inhibited HCV RNA replication at low nanomolar levels. It had inhibitory rate constant (Ki) values of 0.3 and 0.66 nM for the NS3 proteases of HCV genotypes 1a and -1b, respectively.
Originator
Approval Year
Sourcing
PubMed
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TARGET ORGANISM->INHIBITOR |
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TARGET -> INHIBITOR |
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