Tìm theo
Pleconaril
Thuốc Gốc
Small Molecule
CAS: 153168-05-9
CTHH: C18H18F3N3O3
PTK: 381.349
Pleconaril is an antiviral drug being developed by Schering-Plough for prevention of asthma exacerbations and common cold symptoms in asthmatic subjects exposed to picornavirus respiratory infections. Although the formulation used by Schering-Plough is a nasal spray, pleconaril is orally bioavailable, and is active against viruses in the Picornaviridae family, including Enterovirus and Rhinovirus.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18F3N3O3
Phân tử khối
381.349
Monoisotopic mass
381.130026072
InChI
InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
InChI Key
InChIKey=KQOXLKOJHVFTRN-UHFFFAOYSA-N
IUPAC Name
3-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-(trifluoromethyl)-1,2,4-oxadiazole
Traditional IUPAC Name
pleconaril
SMILES
CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1
Độ hòa tan
2.19e-02 g/l
logP
5.04
logS
-4.2
pKa (Strongest Basic)
1.64
PSA
74.18 Å2
Refractivity
104.12 m3·mol-1
Polarizability
37.46 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : Pleconaril is an antiviral drug being developed by Schering-Plough for prevention of asthma exacerbations and common cold symptoms in asthmatic subjects exposed to picornavirus respiratory infections. Although the formulation used by Schering-Plough is a nasal spray, pleconaril is orally bioavailable, and is active against viruses in the Picornaviridae family, including Enterovirus and Rhinovirus. Pleconaril binds to a hydrophobic pocket in viral protein 1, the major protein which comprises the capsid (the outer "shell") of picornaviruses. In enteroviruses, this prevents the virus from exposing its RNA, and in rhinoviruses it also prevents the virus from attaching itself to the host cell.
Dược Động Học :
▧ Absorption :
70% (oral)
▧ Protein binding :
>99%
Chỉ Định : Investigated for use/treatment in upper respiratory infection.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Picovir
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05105
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1684
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=12014826
ChemSpider
http://www.chemspider.com/Chemical-Structure.1621.html
Wikipedia
http://en.wikipedia.org/wiki/Pleconaril
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