Tìm theo
ONO-6818
Các tên gọi khác (1) :
  • CP-955
Thuốc Gốc
Small Molecule
CAS: 208848-19-5
CTHH: C23H30N6O4
PTK: 454.5221
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H30N6O4
Phân tử khối
454.5221
Monoisotopic mass
454.232853478
InChI
InChI=1S/C23H30N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17-18,31H,12,24H2,1-5H3,(H,26,30)/t17-,18-/m1/s1
InChI Key
InChIKey=HMPQTEPEMQZWQH-QZTJIDSGSA-N
IUPAC Name
2-(5-amino-6-oxo-2-phenyl-1,6-dihydropyrimidin-1-yl)-N-[(1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide
Traditional IUPAC Name
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(1R,2R)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILES
CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C
Độ hòa tan
1.13e-01 g/l
logP
1.11
logS
-3.6
pKa (strongest acidic)
12.1
pKa (Strongest Basic)
0.3
PSA
146.94 Å2
Refractivity
123.81 m3·mol-1
Polarizability
46.75 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : ONO-6818 inhibits neutrophil elastase activity, reducing interleukin 8 production and the formation of the complement membrane attack complex. Consequently, neutrophil elastase levels are reduced during stimulated extracorporeal circulation.
Chỉ Định : Investigated for use/treatment in chronic obstructive pulmonary disease (COPD).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03925
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936829
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504912
... loading
... loading