Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H43F3N6O7S2 |
| Molecular Weight | 804.899 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@H](CCN1C(=O)N(C)CCCCC=C[C@@H]3C[C@]3(NC2=O)C(=O)NS(=O)(=O)C4(C)CC4)OC5=CC(=NC6=C5C=CC(OC)=C6C)C7=NC(=CS7)C(F)(F)F
InChI
InChIKey=YEPBUHWNLNKZBW-UEMKMYPFSA-N
InChI=1S/C37H43F3N6O7S2/c1-21-27(52-4)11-10-24-28(18-25(41-30(21)24)32-42-29(20-54-32)37(38,39)40)53-23-12-16-46-26(17-23)31(47)43-36(33(48)44-55(50,51)35(2)13-14-35)19-22(36)9-7-5-6-8-15-45(3)34(46)49/h7,9-11,18,20,22-23,26H,5-6,8,12-17,19H2,1-4H3,(H,43,47)(H,44,48)/b9-7-/t22-,23+,26+,36-/m1/s1
| Molecular Formula | C37H43F3N6O7S2 |
| Molecular Weight | 804.899 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:36:44 GMT 2023
by
admin
on
Sat Dec 16 11:36:44 GMT 2023
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| Record UNII |
LOV58XHF8I
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| Record Status |
Validated (UNII)
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| Record Version |
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100000175117
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46917099
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1251165-81-7
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LOV58XHF8I
Created by
admin on Sat Dec 16 11:36:44 GMT 2023 , Edited by admin on Sat Dec 16 11:36:44 GMT 2023
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
IDX320: Idenix researchers presented 2 posters on IDX320, an non-covalent NS3/4A HCV protease inhibitor further back in the development pipeline.;
L.B. Lallos and colleagues reported that IDX320 interfered with HCV protease activity in laboratory studies using purified proteases, an HCV replicon model, and an infectious HCV virus in cell cultures. IDX320 was found to bind tightly to the HCV NS3/4A protease, with a dissociation half-life of more than 9 hours. The drug inhibited the protease enzyme of HCV genotypes 1a, 1b, 2a, and 4a, as well as 3a at a higher concentration. In contrast, it did not interfere with 9 human cellular proteases.;
In the second poster, S.S. Good and colleagues reported preclinical pharmacokinetic and safety data from laboratory and animal studies. IDX320 had good bioavailability, with a mean plasma half-life of 6 hours in mice and 10 hours in monkeys after a 2 mg/kg IV dose. The drug was highly protein bound. Of the 8 human CYP450 enzymes that process drugs in the liver, only 3A4 metabolized IDX320, and the drug in turn did not significantly inhibit 5 of these enzymes.
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ACTIVE MOIETY |
Originator: Idenix Pharmaceutical; Class: Macrocyclic compound; Mechanism of Action: Hepatitis C virus NS3 protein inhibitor, Hepatitis C virus NS4 protein inhibitor; Highest Development Phase: Discontinued for Hepatitis C; Most Recent Events: 10 Feb 2011 Discontinued - Phase-I/II for Hepatitis C in Hungary (PO), 10 Feb 2011 Discontinued - Phase-I/II for Hepatitis C in Poland (PO), 10 Feb 2011 Discontinued - Phase-I/II for Hepatitis C in Netherlands (PO)
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