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
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 |
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Target ID: CHEMBL5375 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24733465 |
0.003 µM [IC50] |
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
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NCI_THESAURUS |
C783
Created by
admin on Sat Dec 16 05:57:55 GMT 2023 , Edited by admin on Sat Dec 16 05:57:55 GMT 2023
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DTXSID701026084
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5215
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56934415
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MYW1X5CO9S
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Beclabuvir
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m11998
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100000175097
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CHEMBL3126842
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DB12225
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958002-33-0
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AB-68
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C114983
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)