Tìm theo
Lefradafiban
antianginal agents
Thuốc Gốc
Small Molecule
CAS: 149503-79-7
CTHH: C23H25N3O6
PTK: 439.4611
Lefradafiban is an oral platelet glycoprotein IIb/IIIa receptor antagonist being investigated in the treatment of angina.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H25N3O6
Phân tử khối
439.4611
Monoisotopic mass
439.174335547
InChI
InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1
InChI Key
InChIKey=PGCFXITVMNNKON-ROUUACIJSA-N
IUPAC Name
methyl 2-[(3S,5S)-5-(4-{4-[(1Z)-amino[(methoxycarbonyl)imino]methyl]phenyl}phenoxymethyl)-2-oxopyrrolidin-3-yl]acetate
Traditional IUPAC Name
methyl 2-[(3S,5S)-5-(4-{4-[(1Z)-amino[(methoxycarbonyl)imino]methyl]phenyl}phenoxymethyl)-2-oxopyrrolidin-3-yl]acetate
SMILES
COC(=O)C[C@@H]1C[C@@H](COC2=CC=C(C=C2)C2=CC=C(C=C2)C(\N)=N\C(=O)OC)NC1=O
Độ hòa tan
8.80e-03 g/l
logP
1.66
logS
-4.7
pKa (strongest acidic)
14
pKa (Strongest Basic)
0.71
PSA
129.31 Å2
Refractivity
115.47 m3·mol-1
Polarizability
47.13 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : Lefradafiban, an orally active prodrug of fradafiban, is a novel glycoprotein (IIb/IIIa) inhibitor for the treatment of unstable angina. Development was discontinued in 2000 due to lack of efficacy.
Cơ Chế Tác Dụng : Lefradafiban is an oral platelet glycoprotein IIb/IIIa receptor antagonist being investigated in the treatment of angina. GPIIb/IIIa inhibitors, such as lefradafiban, block the final common pathway of platelet aggregation.
Chỉ Định : For the treatment of unstable angina.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04863
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9576916
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=14759268
ChemSpider
http://www.chemspider.com/Chemical-Structure.7851357.html
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