Nikkomycin Z

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

Identification

Generic Name
Nikkomycin Z
DrugBank Accession Number
DB12939
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 495.445
Monoisotopic: 495.160142025
Chemical Formula
C20H25N5O10
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Nikkomycin Z.
DicoumarolThe therapeutic efficacy of Dicoumarol can be increased when used in combination with Nikkomycin Z.
FluindioneThe therapeutic efficacy of Fluindione can be increased when used in combination with Nikkomycin Z.
PhenindioneThe therapeutic efficacy of Phenindione can be increased when used in combination with Nikkomycin Z.
PhenprocoumonThe therapeutic efficacy of Phenprocoumon can be increased when used in combination with Nikkomycin Z.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,3-aminoalcohol / 5'-deoxyribonucleoside / Alcohol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid / Amino acid or derivatives / Aralkylamine
show 38 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
nikkomycin (CHEBI:623918)
Affected organisms
Not Available

Chemical Identifiers

UNII
9Z22C3QQCJ
CAS number
59456-70-1
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

References

General References
Not Available
PubChem Compound
456557
PubChem Substance
347829083
ChemSpider
401991
BindingDB
50089541
ChEBI
623918
ChEMBL
CHEMBL35306
ZINC
ZINC000029246385
PDBe Ligand
BGI
Wikipedia
Nikkomycin
PDB Entries
7stn / 7wjo / 7xs6 / 8k3x

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers (HV)1
1TerminatedBasic ScienceHealthy Volunteers (HV)1
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/MSsplash10-00lr-0729000000-af059379ac2dbed3adc2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0693300000-a6bcc2ecfe2f68e74131
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-2900000000-3307ce18462cef4e1361
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3976500000-d009b7631b2f1bd97590
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-5910100000-f861b02803b4087cb4bd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3943100000-6419932ab88ce682dbe2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-218.0571899
predicted
DarkChem Lite v0.1.0
[M-H]-210.53654
predicted
DeepCCS 1.0 (2019)
[M+H]+219.0911899
predicted
DarkChem Lite v0.1.0
[M+H]+212.36143
predicted
DeepCCS 1.0 (2019)
[M+Na]+219.2441899
predicted
DarkChem Lite v0.1.0
[M+Na]+218.17091
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:29 / Updated at June 12, 2020 16:53