NAV

Kitasamycin

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

Identification

Generic Name
Kitasamycin
DrugBank Accession Number
DB09309
Background

Kitasamycin is a macrolide antibiotic derived from Streptomyces kitasatoensis.

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 785.969
Monoisotopic: 785.456155841
Chemical Formula
C40H67NO14
Synonyms
  • Leucomycin
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Integrate drug-drug
interactions in your software
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with Kitasamycin.
AcalabrutinibThe serum concentration of Acalabrutinib can be increased when it is combined with Kitasamycin.
AcenocoumarolThe serum concentration of Acenocoumarol can be increased when it is combined with Kitasamycin.
AcetyldigitoxinThe serum concentration of Acetyldigitoxin can be increased when it is combined with Kitasamycin.
AlbendazoleThe metabolism of Albendazole can be decreased when combined with Kitasamycin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Kitasamycin tartrateIPN75MD9DR37280-56-1LCDBILLRZFJKMN-RKYMYSRXSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Aminoglycosides
Alternative Parents
Macrolides and analogues / O-glycosyl compounds / Disaccharides / Fatty acid esters / Oxanes / Dicarboxylic acids and derivatives / Tertiary alcohols / Alpha-hydrogen aldehydes / Trialkylamines / Secondary alcohols
show 10 more
Substituents
1,2-aminoalcohol / Acetal / Alcohol / Aldehyde / Aliphatic heteromonocyclic compound / Alpha-hydrogen aldehyde / Amine / Amino acid or derivatives / Aminoglycoside core / Carbonyl group
show 24 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
macrolide (CHEBI:34812)
Affected organisms
Not Available

Chemical Identifiers

UNII
YX09Z4QW5Y
CAS number
1392-21-8
InChI Key
IEMDOFXTVAPVLX-YWQHLDGFSA-N
InChI
InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1
IUPAC Name
(2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 3-methylbutanoate
SMILES
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C

References

General References
Not Available
KEGG Compound
C14056
PubChem Compound
5282322
PubChem Substance
310265197
ChemSpider
4445491
ChEBI
34812
ChEMBL
CHEMBL2106399
ZINC
ZINC000085537070
Drugs.com
Drugs.com Drug Page
Wikipedia
Kitasamycin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.131 mg/mLALOGPS
logP2.72ALOGPS
logP2.78Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.68Chemaxon
pKa (Strongest Basic)7.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count13Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area199.98 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity201.88 m3·mol-1Chemaxon
Polarizability83.98 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/MSsplash10-000i-0000000900-0b0c77b16e714e10928c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000021900-d5eb83c52c3b5abeaf7c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gc9-0301004900-d12176b0391c0e43b156
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-6300029200-0bc537d1614ff21f2e8d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0596-3619020100-06f45798aa4bad308ba5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0119010200-b535bbd9dcff48a6647b
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-269.21112
predicted
DeepCCS 1.0 (2019)
[M+H]+270.87527
predicted
DeepCCS 1.0 (2019)
[M+Na]+277.03214
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Kuper JI, D'Aprile M: Drug-Drug interactions of clinical significance in the treatment of patients with Mycobacterium avium complex disease. Clin Pharmacokinet. 2000 Sep;39(3):203-14. doi: 10.2165/00003088-200039030-00003. [Article]

Drug created at November 12, 2015 16:53 / Updated at June 12, 2020 16:52