NAV

Rokitamycin

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

Identification

Generic Name
Rokitamycin
DrugBank Accession Number
DB13409
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 828.006
Monoisotopic: 827.466720526
Chemical Formula
C42H69NO15
Synonyms
  • Rokitamycin
External IDs
  • TMS 19Q
  • TMS-19Q
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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
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interactions in your software
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with Rokitamycin.
AcalabrutinibThe serum concentration of Acalabrutinib can be increased when it is combined with Rokitamycin.
AcenocoumarolThe serum concentration of Acenocoumarol can be increased when it is combined with Rokitamycin.
AcetyldigitoxinThe serum concentration of Acetyldigitoxin can be increased when it is combined with Rokitamycin.
AlbendazoleThe metabolism of Albendazole can be decreased when combined with Rokitamycin.
Food Interactions
Not Available

Products

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Categories

ATC Codes
J01FA12 — Rokitamycin
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 / Disaccharides / O-glycosyl compounds / Tricarboxylic acids and derivatives / Fatty acid esters / Oxanes / Alpha-hydrogen aldehydes / 1,2-aminoalcohols / Trialkylamines / Amino acids and derivatives
show 9 more
Substituents
1,2-aminoalcohol / Acetal / Alcohol / Aldehyde / Aliphatic heteromonocyclic compound / Alpha-hydrogen aldehyde / Amine / Amino acid or derivatives / Aminoglycoside core / Carbonyl group
show 23 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZPT03UEM0E
CAS number
74014-51-0
InChI Key
VYWWNRMSAPEJLS-MDWYKHENSA-N
InChI
InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/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}-2,4-dimethyl-4-(propanoyloxy)oxan-3-yl butanoate
SMILES
CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C

References

General References
Not Available
ChemSpider
4445397
ChEBI
32103
ChEMBL
CHEMBL1908350
ZINC
ZINC000169676935
Wikipedia
Rokitamycin

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
FormRouteStrength
Granule, for suspensionOral
Tablet, coated
PowderOral3 g
PowderOral4 g
Tablet, film coatedOral400 mg
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.061 mg/mLALOGPS
logP3.4ALOGPS
logP3.63Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.71Chemaxon
pKa (Strongest Basic)7.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count13Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area206.05 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity211.11 m3·mol-1Chemaxon
Polarizability89.06 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/MSsplash10-01sc-0000000930-190d2239a1684c63a3b8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000001320-574d68cbae10eb70bf1a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05fr-9000000210-00cfe729eb5d3649c294
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002u-1001001920-638aaf00b2d8983ef37b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gb9-0009000010-2e69e050011390844e6c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1109011810-9fad77a95abf0f378041
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-296.5214221
predicted
DarkChem Lite v0.1.0
[M-H]-296.1519
predicted
DeepCCS 1.0 (2019)
[M+H]+295.6158221
predicted
DarkChem Lite v0.1.0
[M+H]+297.80505
predicted
DeepCCS 1.0 (2019)
[M+Na]+295.5134221
predicted
DarkChem Lite v0.1.0
[M+Na]+303.96188
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 June 23, 2017 20:41 / Updated at February 21, 2021 18:54