Tìm theo
SQ109
Thuốc Gốc
Small Molecule
CTHH: C22H38N2
PTK: 330.5505
SQ109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H38N2
Phân tử khối
330.5505
Monoisotopic mass
330.303499226
InChI
InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+
InChI Key
InChIKey=JFIBVDBTCDTBRH-REZTVBANSA-N
IUPAC Name
{2-[(adamantan-2-yl)amino]ethyl}[(2E)-3,7-dimethylocta-2,6-dien-1-yl]amine
Traditional IUPAC Name
[2-(adamantan-2-ylamino)ethyl][(2E)-3,7-dimethylocta-2,6-dien-1-yl]amine
SMILES
CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3
Độ hòa tan
1.71e-03 g/l
logP
4.64
logS
-5.3
pKa (Strongest Basic)
10.24
PSA
24.06 Å2
Refractivity
105.79 m3·mol-1
Polarizability
42.83 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Cơ Chế Tác Dụng : SQ109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen. With a mechanism of action distinct from other antibiotics used in TB therapy, SQ109 inhibits cell wall synthesis and acts on multiple cellular pathways in a select group of microorganisms.
Chỉ Định : Investigated for use/treatment in bacterial infection, infectious and parasitic disease (unspecified), and tuberculosis.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05186
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5274428
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10584935
ChemSpider
http://www.chemspider.com/Chemical-Structure.4438718.html
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