Nikkomycin Z

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Nikkomycin Z
Accession Number
DB12939
Type
Small Molecule
Groups
Investigational
Description

Nikkomycin Z has been used in trials studying the treatment and basic science of Coccidioidomycosis.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
9Z22C3QQCJ
CAS number
59456-70-1
Weight
Average: 495.445
Monoisotopic: 495.160142025
Chemical Formula
C20H25N5O10
InChI Key
WWJFFVUVFNBJTN-VHDFTHOZSA-N
InChI
InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
IUPAC Name
(2S)-2-[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido]-2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
SMILES
C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)[C@H](O)C1=CC=C(O)C=N1

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
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Nikkomycin Z.
AmrinoneThe therapeutic efficacy of Nikkomycin Z can be increased when used in combination with Amrinone.
AzimilideThe therapeutic efficacy of Nikkomycin Z can be increased when used in combination with Azimilide.
BuspironeThe metabolism of Buspirone can be decreased when combined with Nikkomycin Z.
BusulfanThe serum concentration of Busulfan can be increased when it is combined with Nikkomycin Z.
CisaprideThe serum concentration of Cisapride can be increased when it is combined with Nikkomycin Z.
DidanosineDidanosine can cause a decrease in the absorption of Nikkomycin Z resulting in a reduced serum concentration and potentially a decrease in efficacy.
DocetaxelThe metabolism of Docetaxel can be decreased when combined with Nikkomycin Z.
EtravirineThe serum concentration of Etravirine can be increased when it is combined with Nikkomycin Z.
FosphenytoinThe serum concentration of Nikkomycin Z can be decreased when it is combined with Fosphenytoin.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
456557
PubChem Substance
347829083
ChemSpider
401991
BindingDB
50089541
ChEBI
623918
ChEMBL
CHEMBL35306

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers1
1TerminatedBasic ScienceHealthy Volunteers1
1, 2TerminatedTreatmentCoccidioidomycosis1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.47 mg/mLALOGPS
logP-1.2ALOGPS
logP-5.6ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)2.61ChemAxon
pKa (Strongest Basic)7.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area244.87 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity111.84 m3·mol-1ChemAxon
Polarizability46.27 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
5'-deoxyribonucleosides / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Glycosylamines / Pyrimidones / Hydroxypyridines / Aralkylamines / Hydropyrimidines / N-acyl amines / Vinylogous amides
show 18 more
Substituents
Alpha-dipeptide / 5'-deoxyribonucleoside / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / N-acyl-l-alpha-amino acid / Alpha-amino acid amide / Glycosyl compound / N-glycosyl compound / Alpha-amino acid or derivatives / Hydroxypyridine
show 38 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
nikkomycin (CHEBI:623918)

Drug created on October 20, 2016 19:29 / Updated on August 02, 2018 06:45