Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H56N6O9S |
| Molecular Weight | 820.994 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CN3C(=O)[C@H](CCCCC\C=C\[C@@H]4C[C@]4(NC(=O)[C@]3([H])C1)C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)O[C@]6([H])CCC[C@@]6([H])CCCCCC7=NC8=CC=C(OC)C=C8N=C7O2
InChI
InChIKey=BLFKRFGLQFYXDF-WAZRELCSSA-N
InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1
| Molecular Formula | C42H56N6O9S |
| Molecular Weight | 820.994 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:36:41 UTC 2023
by
admin
on
Sat Dec 16 11:36:41 UTC 2023
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| Record UNII |
59LD48P07K
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1263814-52-3
Created by
admin on Sat Dec 16 11:36:41 UTC 2023 , Edited by admin on Sat Dec 16 11:36:41 UTC 2023
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59LD48P07K
Created by
admin on Sat Dec 16 11:36:41 UTC 2023 , Edited by admin on Sat Dec 16 11:36:41 UTC 2023
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121596640
Created by
admin on Sat Dec 16 11:36:41 UTC 2023 , Edited by admin on Sat Dec 16 11:36:41 UTC 2023
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DB15249
Created by
admin on Sat Dec 16 11:36:41 UTC 2023 , Edited by admin on Sat Dec 16 11:36:41 UTC 2023
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Clinical Trial Summary: This is a 2 part study of the safety, pharmacokinetics and pharmacodynamics of MK-6325 in HCV-infected participants. Part I of the study will be for Genotype (GT) 1 HCV-infected participants who will be randomized to receive either MK-6325 or placebo. If the drug is shown to be safe and efficacious in Part I, Part II will enroll GT 3 HCV-infected participants who will be randomized to receive either MK-6325 or placebo.
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ACTIVE MOIETY |
Originator: Merck & Co; Class: Antiviral; Mechanism of Action: Undefined mechanism; Orphan Drug Status: No; On Fast track: No; Highest Development Phase: No development reported for Hepatitis C; Most Recent Events: 16 Jul 2016 No recent reports of development identified for phase-I development in Hepatitis-C in Germany (PO, Capsule), 16 Jul 2016 No recent reports of development identified for phase-I development in Hepatitis-C in Moldova (PO, Capsule), 30 Apr 2012 Merck completes a phase I trial in Hepatitis C in Germany & Moldova (NCT01329913)
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ACTIVE MOIETY |
Enzyme Inhibition Ki(nM): 1b=0.005+-0.002, 3a=0.263+-0.107, R155K=0.013+-0.005, A156T=0.418+-0.147, A156V=0.568+-0.209, D168Y=0.036+-0.014;
gt1b EC50(nM): 10% FBS=1.1+-0.8, 50% NHS=10.5+-3.1;
Rat PK AUC 04h: (uM h)=0.77, (liver) 4h (uM)=43
MK-6325 is slightly more potent, with IC50 values < 0.263 nm across genotypes, and most being < 0.1 nm.
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