Tìm theo
Piboserod
Thuốc Gốc
Small Molecule
CAS: 152811-62-6
CTHH: C22H31N3O2
PTK: 369.5004
Piboserod (SB 207266) is a selective 5-HT(4) receptor antagonist.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H31N3O2
Phân tử khối
369.5004
Monoisotopic mass
369.241627251
InChI
InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
InChI Key
InChIKey=KVCSJPATKXABRQ-UHFFFAOYSA-N
IUPAC Name
N-[(1-butylpiperidin-4-yl)methyl]-2H,3H,4H-[1,3]oxazino[3,2-a]indole-10-carboxamide
Traditional IUPAC Name
N-[(1-butylpiperidin-4-yl)methyl]-2H,3H,4H-[1,3]oxazino[3,2-a]indole-10-carboxamide
SMILES
CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1
Độ hòa tan
2.87e-02 g/l
logP
3
logS
-4.1
pKa (strongest acidic)
14.3
pKa (Strongest Basic)
9.8
PSA
46.5 Å2
Refractivity
108.77 m3·mol-1
Polarizability
44.36 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : GlaxoSmithKline was investigating piboserod, a 5HT4 antagonist, for the treatment of atrial fibrillation. Phase II trials were ongoing in March 2004, but by December of that year, development had been discontinued. Piboserod had previously being investigated for the treatment of irritable bowel syndrome (IBS), but development for this indication was terminated in 1999.
Cơ Chế Tác Dụng : Piboserod (SB 207266) is a selective 5-HT(4) receptor antagonist. Piboserod appears to act as a specific antagonist of one of the receptors for 5-hydroxytryptamine, the 5-HT4 receptor. The 5-HT4 receptor antagonists are thought to antagonize both the ability of serotonin to sensitize the peristaltic reflex and 5-HT-induced defecation, at least in animal studies. As 5-HT4 receptors are present in human atrial cells and when stimulated may cause atrial arrhythmias, piboserod was under investigation in clinical trials for atrial fibrillation.
Chỉ Định : For the treatment of atrial fibrillation and irritable bowel syndrome (IBS).
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04873
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=177336
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=10258594
ChemSpider
http://www.chemspider.com/Chemical-Structure.154413.html
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