Tìm theo
HCV-086
Thuốc Gốc
Small Molecule
CTHH: C20H21FN2O5S
PTK: 420.455
HCV-086 is a small molecule antiviral designed to block an enzyme required for the replication of the hepatitis C virus.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H21FN2O5S
Phân tử khối
420.455
Monoisotopic mass
420.115520687
InChI
InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)
InChI Key
InChIKey=VBRUONUESYTIDA-UHFFFAOYSA-N
IUPAC Name
2-(4-fluorophenyl)-6-methanesulfonamido-N-methyl-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Traditional IUPAC Name
2-(4-fluorophenyl)-5-isopropoxy-6-methanesulfonamido-N-methyl-1-benzofuran-3-carboxamide
SMILES
CNC(=O)C1=C(OC2=CC(NS(C)(=O)=O)=C(OC(C)C)C=C12)C1=CC=C(F)C=C1
Độ hòa tan
3.57e-02 g/l
logP
1.91
logS
-4.1
pKa (strongest acidic)
7.05
pKa (Strongest Basic)
-1.7
PSA
97.64 Å2
Refractivity
106.42 m3·mol-1
Polarizability
42.83 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : HCV-086 is a small molecule antiviral designed to block an enzyme required for the replication of the hepatitis C virus. This drug inhibits polymerase enzyme which encourages hepatitis C virus (HCV) infections.
Chỉ Định : Investigated for use/treatment in hepatitis (viral, C).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05884
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10409873
ChemSpider
http://www.chemspider.com/Chemical-Structure.8585310.html
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