Tìm theo
Candicidin
macrolides
Thuốc Gốc
Small Molecule
CAS: 1403-17-4
ATC: G01AA04
CTHH: C59H84N2O18
PTK: 1109.3009
Candicidin is an antibiotic obtained from a streptomyces (Streptomyces griseus) and active against some fungi of the genus Candida (C. albicans). Candicidin is administered intravaginally in the treatment of vulvovaginal candidiasis.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C59H84N2O18
Phân tử khối
1109.3009
Monoisotopic mass
1108.571913894
InChI
InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-46(77-58-55(72)53(61)54(71)38(4)76-58)31-50-52(57(73)74)49(69)34-59(75,79-50)33-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)30-51(70)78-56(35)37(3)26-36(2)47(67)32-48(68)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-47,49-50,52-56,58,64-67,69,71-72,75H,17,19-20,26-34,60-61H2,1-4H3,(H,73,74)/b6-5-,9-7-,10-8-,13-11-,14-12-,18-15-,21-16-/t35?,36?,37?,38-,43?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58?,59?/m1/s1
InChI Key
InChIKey=YKSVGLFNJPQDJE-WDANKXQLSA-N
IUPAC Name
33-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-17-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Traditional IUPAC Name
candicidin
SMILES
CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC2(O)CC(O)C(C(CC(OC3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C1C)O2)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1
Độ hòa tan
9.34e-03 g/l
logP
1.7
logS
-5.1
pKa (strongest acidic)
3.68
pKa (Strongest Basic)
9.07
PSA
356.38 Å2
Refractivity
300.5 m3·mol-1
Polarizability
119.88 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
19
H Bond Donor Count
11
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : Candicidin is a polyene antifungal antibiotic produced by a strain of Streptomyces griseus. It is especially effective against Candida albicans (more effective than amphotericin B), and is administered intravaginally in the treatment of vulvovaginal candidiasis.
Cơ Chế Tác Dụng : Candicidin is an antibiotic obtained from a streptomyces (Streptomyces griseus) and active against some fungi of the genus Candida (C. albicans). Candicidin is administered intravaginally in the treatment of vulvovaginal candidiasis. Ergosterol, the principal sterol in the fungal cytoplasmic membrane, is the target site of action of Candicidin. Candicidin binds irreversibly to ergosterol, resulting in disruption of membrane integrity and ultimately cell death. There is some evidence that the binding site in the cell wall may be to fatty acids or fatty acid esters and that this binding capacity must be satisfied before candicidin can bring about its lethal effect by binding to sterol in the cell membrane.
Chỉ Định : Used in the topical treatment of vulvovaginal candidiasis.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Candicidin A
  • Công ty :
    Sản phẩm biệt dược : Candicidin D
  • Công ty :
    Sản phẩm biệt dược : FR-008-III
  • Công ty :
    Sản phẩm biệt dược : Prostatin
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01152
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=441142
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504812
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C06690
ChemSpider
http://www.chemspider.com/Chemical-Structure.10128184.html
PharmGKB
http://www.pharmgkb.org/drug/PA164754911
Wikipedia
http://en.wikipedia.org/wiki/Candicidin
... loading
... loading