Tìm theo
GW 501516
Thuốc Gốc
Small Molecule
CTHH: C21H18F3NO3S2
PTK: 453.498
GW-501516 is a peroxisome proliferator-activator receptor-delta agonist for the potential treatment of dyslipidemia. It is developed by GlaxoSmithKline. This drug is in Phase II clinical trials .
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H18F3NO3S2
Phân tử khối
453.498
Monoisotopic mass
453.068019442
InChI
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChI Key
InChIKey=YDBLKRPLXZNVNB-UHFFFAOYSA-N
IUPAC Name
2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
Traditional IUPAC Name
2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxyacetic acid
SMILES
CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
Độ hòa tan
3.25e-04 g/l
logP
5.7
logS
-6.2
pKa (strongest acidic)
3.51
pKa (Strongest Basic)
2.14
PSA
59.42 Å2
Refractivity
121.88 m3·mol-1
Polarizability
43.39 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Cơ Chế Tác Dụng : GW-501516 is a peroxisome proliferator-activator receptor-delta agonist for the potential treatment of dyslipidemia. It is developed by GlaxoSmithKline. This drug is in Phase II clinical trials . This drug regulates fatty acid oxidation in several tissues, such as skeletal muscle and adipose tissue. Overexpression of PPARdelta using a transgenic murine model promotes an increase of muscle oxidative capability. It also plays a major role in the metabolic adaptations to western diet characterized by an excessive amount of saturated fat.
Chỉ Định : Investigated for use/treatment in hyperlipidemia.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05416
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9803963
ChemSpider
http://www.chemspider.com/Chemical-Structure.7979723.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28661
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