Tìm theo
TC-5619
Thuốc Gốc
Small Molecule
CTHH: C22H23N3O2
PTK: 361.4369
TC-5619, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). TC-5619 belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H23N3O2
Phân tử khối
361.4369
Monoisotopic mass
361.179026995
InChI
InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21-/m0/s1
InChI Key
InChIKey=OXKRFEWMSWPKKV-RXVVDRJESA-N
IUPAC Name
N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
Traditional IUPAC Name
N-[(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
SMILES
O=C(N[C@H]1C2CCN(CC2)[C@H]1CC1=CN=CC=C1)C1=CC2=CC=CC=C2O1
Độ hòa tan
5.59e-02 g/l
logP
2.36
logS
-3.8
pKa (strongest acidic)
14.57
pKa (Strongest Basic)
7.44
PSA
58.37 Å2
Refractivity
103.6 m3·mol-1
Polarizability
39.15 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Cơ Chế Tác Dụng : TC-5619, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). TC-5619 belongs to a new class of drugs for the treatment of central nervous system diseases and disorders. TC-5619, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). The α7 NNR is associated with a variety of biological functions. In particular, the α7 NNR has been shown in animal studies to be an essential regulator of both inflammation arising from injury or infection and cognitive functions. α7 NNR plays a role in protecting neuronal cells from deterioration and death, a process known as neuroprotection.
Chỉ Định : Investigated for use/treatment in neurologic disorders.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB06090
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=16727410
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=26683811
ChemSpider
http://www.chemspider.com/Chemical-Structure.20559152.html
... loading
... loading