Tìm theo
OPC-6535
Thuốc Gốc
Small Molecule
CTHH: C19H18N2O4S
PTK: 370.422
OPC-6535 is a new class of anti-inflammatory agent and phophodiasterase inhibitor.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H18N2O4S
Phân tử khối
370.422
Monoisotopic mass
370.098727764
InChI
InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)
InChI Key
InChIKey=XDBHURGONHZNJF-UHFFFAOYSA-N
IUPAC Name
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
Traditional IUPAC Name
tetomilast
SMILES
CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O
Độ hòa tan
3.01e-03 g/l
logP
4.3
logS
-5.1
pKa (strongest acidic)
3.62
pKa (Strongest Basic)
-0.68
PSA
81.54 Å2
Refractivity
107.91 m3·mol-1
Polarizability
39.86 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Chỉ Định : Investigated for use/treatment in ulcerative colitis.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05298
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3025803
ChemSpider
http://www.chemspider.com/Chemical-Structure.2291461.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035677
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