Tìm theo
OPC-51803
Thuốc Gốc
Small Molecule
CTHH: C26H32ClN3O2
PTK: 454.004
OPC-51803 is the first nonpeptide vasopressin (AVP) V(2)-receptor-selective agonist. It is a V(2)-selective agonist that produces a significant antidiuretic action after single and multiple oral dosing in AVP-deficient and normal AVP states. It is useful therapeutic drug in the treatment of hypothalamic diabetes insipidus, nocturnal enuresis, and some kinds of urinary incontinence.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H32ClN3O2
Phân tử khối
454.004
Monoisotopic mass
453.21830499
InChI
InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1
InChI Key
InChIKey=INGXCNVWWKKWOO-LJQANCHMSA-N
IUPAC Name
2-[(5R)-1-{[2-chloro-4-(pyrrolidin-1-yl)phenyl]carbonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl]-N-(propan-2-yl)acetamide
Traditional IUPAC Name
2-[(5R)-1-{[2-chloro-4-(pyrrolidin-1-yl)phenyl]carbonyl}-2,3,4,5-tetrahydro-1-benzazepin-5-yl]-N-isopropylacetamide
SMILES
CC(C)NC(=O)C[C@H]1CCCN(C(=O)C2=C(Cl)C=C(C=C2)N2CCCC2)C2=CC=CC=C12
Độ hòa tan
3.85e-03 g/l
logP
4.58
logS
-5.1
pKa (strongest acidic)
14.81
pKa (Strongest Basic)
1.57
PSA
52.65 Å2
Refractivity
130.69 m3·mol-1
Polarizability
49.92 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Chỉ Định : Investigated for use/treatment in nocturia (frequent nighttime urination) and urinary incontinence.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05838
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3038506
ChemSpider
http://www.chemspider.com/Chemical-Structure.2302070.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50117486
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