Tìm theo
CDB-2914
Thuốc Gốc
Small Molecule
CTHH: C30H37NO4
PTK: 475.6191
CDB-2914 is a progesterone receptor modulator which is under investigation by HRA Pahrma for the use as an emergency contraceptive.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C30H37NO4
Phân tử khối
475.6191
Monoisotopic mass
475.272258677
InChI
InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
InChI Key
InChIKey=OOLLAFOLCSJHRE-ZHAKMVSLSA-N
IUPAC Name
(10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-14-yl acetate
Traditional IUPAC Name
(10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-14-yl acetate
SMILES
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
Độ hòa tan
3.41e-03 g/l
logP
4.62
logS
-5.1
pKa (strongest acidic)
17.8
pKa (Strongest Basic)
4.89
PSA
63.68 Å2
Refractivity
138.44 m3·mol-1
Polarizability
53.95 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Cơ Chế Tác Dụng : CDB-2914 is a progesterone receptor modulator which is under investigation by HRA Pahrma for the use as an emergency contraceptive. CDB-2914 is a member of a class of drugs known as progesterone receptor modulators, which also bind to the progesterone receptor, preventing progesterone from binding with it. When the female hormone progesterone cannot bind to the receptor, the genes with which it interacts remain inactive. It plays a role in the growth of fibroids. Progesterone exerts its influence by binding with molecules, known as progesterone receptors, in cells. When progesterone binds with the progesterone receptor, it activates the receptor. The activated receptor determines when specific genes will turn on. When a gene turns on, it produces the proteins that tell the cell what to do
Chỉ Định : Investigated for use/treatment in contraception.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Ella
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05366
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=130904
ChemSpider
http://www.chemspider.com/Chemical-Structure.115762.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50233856
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