Fusafungine

Identification

Name
Fusafungine
Accession Number
DB08965
Type
Small Molecule
Groups
Approved, Withdrawn
Description

Fusafungine is an antibiotic from Fusarium lateririum, and is used for the treatment of respiratory infections.

Structure
Thumb
Synonyms
  • Fusafungina
Categories
UNII
65DD690W0C
CAS number
1393-87-9
Weight
Average: 639.8204
Monoisotopic: 639.409480437
Chemical Formula
C33H57N3O9
InChI Key
MIZMDSVSLSIMSC-OGLSAIDSSA-N
InChI
InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25?,26?,27?/m0/s1
IUPAC Name
(3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
SMILES
[H]C1(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C1=O)C(C)C)C(C)C)C(C)C

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe risk or severity of bleeding can be increased when Fusafungine is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Fusafungine is combined with (S)-Warfarin.
4-hydroxycoumarinThe risk or severity of bleeding can be increased when Fusafungine is combined with 4-hydroxycoumarin.
AcenocoumarolThe risk or severity of bleeding can be increased when Fusafungine is combined with Acenocoumarol.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Fusafungine.
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Fusafungine.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Fusafungine.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Fusafungine.
Bacillus calmette-guerin substrain danish 1331 live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain danish 1331 live antigen can be decreased when used in combination with Fusafungine.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Fusafungine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3084092
PubChem Substance
310264928
ChemSpider
2341206
Wikipedia
Fusafungine
ATC Codes
R02AB03 — Fusafungine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0184 mg/mLALOGPS
logP3.81ALOGPS
logP4.96ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)18.8ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area139.83 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity166.6 m3·mol-1ChemAxon
Polarizability69.27 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Peptidomimetics
Sub Class
Depsipeptides
Direct Parent
Cyclic depsipeptides
Alternative Parents
Macrolide lactams / Alpha amino acid esters / Macrolides and analogues / Macrolactams / Tricarboxylic acids and derivatives / Tertiary carboxylic acid amides / Carboxylic acid esters / Lactones / Lactams / Oxacyclic compounds
show 6 more
Substituents
Cyclic depsipeptide / Macrolide lactam / Alpha-amino acid ester / Macrolactam / Macrolide / Alpha-amino acid or derivatives / Tricarboxylic acid or derivatives / Tertiary carboxylic acid amide / Carboxamide group / Carboxylic acid ester
show 15 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 09, 2014 09:07 / Updated on November 05, 2018 17:49