Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C36H45N5O5S |
Molecular Weight | 659.838 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=C1)C3=C(C4CCCCC4)C5=C(C=C(C=C5)C(=O)NS(=O)(=O)N(C)C)N3C[C@]6(C[C@@H]26)C(=O)N7[C@H]8CC[C@@H]7CN(C)C8
InChI
InChIKey=ZTTKEBYSXUCBSE-QDFUAKMASA-N
InChI=1S/C36H45N5O5S/c1-38(2)47(44,45)37-34(42)23-10-14-28-31(16-23)40-21-36(35(43)41-24-11-12-25(41)20-39(3)19-24)18-30(36)29-17-26(46-4)13-15-27(29)33(40)32(28)22-8-6-5-7-9-22/h10,13-17,22,24-25,30H,5-9,11-12,18-21H2,1-4H3,(H,37,42)/t24-,25+,30-,36-/m0/s1
Molecular Formula | C36H45N5O5S |
Molecular Weight | 659.838 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Beclabuvir (previously known as BMS-791325), a potent, non-nucleoside inhibitor of the HCV NS5B RNA polymerase. In combination with daclatasvir and asunaprevir drug participates in clinical trials phase III for patients infected with HCV genotype 1, which is the most common genotype worldwide. Recently published data has shown that this combination achieved very high rates of viral eradication.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL5375 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24733465 |
0.003 µM [IC50] |
PubMed
Title | Date | PubMed |
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A randomized, placebo-controlled study of the NS5B inhibitor beclabuvir with peginterferon/ribavirin for HCV genotype 1. | 2015 Aug |
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Beclabuvir in combination with asunaprevir and daclatasvir for hepatitis C virus genotype 1 infection: A systematic review and meta-analysis. | 2018 May |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02124044
Oral treatment with Asunaprevir 200mg (ASV), Daclatasvir 30 mg (DCV) and BMS-791325 75 mg in a fixed dose combination pill (FDC), twice daily, for 12 weeks in HIV/HCV genotype 1a or 1b patients
Other Name: Asunaprevir (ASV) and Daclatasvir (DCV) and BMS-791325 (Beclabuvir)
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:57:55 GMT 2023
by
admin
on
Sat Dec 16 05:57:55 GMT 2023
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Record UNII |
MYW1X5CO9S
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Record Status |
Validated (UNII)
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NCI_THESAURUS |
C783
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Beclabuvir
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AB-68
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C114983
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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TARGET ORGANISM->INHIBITOR |
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ACTIVE MOIETY |
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