Sabarubicin

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

Identification

Generic Name
Sabarubicin
DrugBank Accession Number
DB12410
Background

Sabarubicin has been used in trials studying the treatment of Prostate Cancer, Testicular Germ Cell Tumor, and Unspecified Adult Solid Tumor, Protocol Specific.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 643.6351
Monoisotopic: 643.226490275
Chemical Formula
C32H37NO13
Synonyms
  • Sabarubicin
External IDs
  • MEN-10755

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
MargetuximabThe risk or severity of cardiotoxicity can be increased when Margetuximab is combined with Sabarubicin.
TrastuzumabThe risk or severity of cardiotoxicity can be increased when Trastuzumab is combined with Sabarubicin.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Anthracyclines
Sub Class
Not Available
Direct Parent
Anthracyclines
Alternative Parents
Tetracenequinones / Aminoglycosides / Anthraquinones / O-glycosyl compounds / Disaccharides / Tetralins / Aryl ketones / Oxanes / Vinylogous acids / Tertiary alcohols
show 12 more
Substituents
1,2-aminoalcohol / 1,4-anthraquinone / 9,10-anthraquinone / Acetal / Alcohol / Aldehyde / Alpha-hydroxy ketone / Amine / Amino saccharide / Aminoglycoside core
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
XS499WOZ93
CAS number
211100-13-9
InChI Key
VQHRZZISQVWPLK-UIRGBLDSSA-N
InChI
InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1
IUPAC Name
(7S,9S)-7-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
SMILES
[H][C@]1(N)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])O)O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=CC=CC=C2C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O

References

General References
Not Available
PubChem Compound
151897
PubChem Substance
347828655
ChemSpider
133880
ChEMBL
CHEMBL1230227
PDBe Ligand
44D
Wikipedia
Sabarubicin
PDB Entries
1nab

Clinical Trials

Clinical Trials

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 Solubility1.25 mg/mLALOGPS
logP1.14ALOGPS
logP0.88Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)8.04Chemaxon
pKa (Strongest Basic)10.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count14Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area235.53 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity157.49 m3·mol-1Chemaxon
Polarizability65.71 Å3Chemaxon
Number of Rings6Chemaxon
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/MSsplash10-00mo-0125009000-efcc9863160a81209b2d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0103439000-ede44e191edabeb8277b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ed-1905014000-2c3cf3c1dbb38dddba8c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-1913115000-0c55ffce406af6eca8ae
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001m-3901054000-b116a5459ebea6b53ff0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03kc-0508279000-d8899801822c453ed945
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-257.5855538
predicted
DarkChem Lite v0.1.0
[M-H]-222.1851
predicted
DeepCCS 1.0 (2019)
[M+H]+257.1143538
predicted
DarkChem Lite v0.1.0
[M+H]+223.98157
predicted
DeepCCS 1.0 (2019)
[M+Na]+257.5600538
predicted
DarkChem Lite v0.1.0
[M+Na]+230.01697
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:16 / Updated at February 21, 2021 18:53