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Aclarubicin
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Aclarubicin
- Accession Number
- DB11617
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Aclarubicin (DB11617)
- Weight
- Average: 811.878
Monoisotopic: 811.341520011 - Chemical Formula
- C42H53NO15
- Synonyms
- Aclacinomycin A
- Aclarubicin
- aclarubicina
- External IDs
- NSC-208734
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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.
Drug Interaction Unlock Additional DataDarbepoetin alfa The risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Aclarubicin. Erythropoietin The risk or severity of Thrombosis can be increased when Erythropoietin is combined with Aclarubicin. Methoxy polyethylene glycol-epoetin beta The risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Aclarubicin. Peginesatide The risk or severity of Thrombosis can be increased when Peginesatide is combined with Aclarubicin. Trastuzumab The risk or severity of cardiotoxicity can be increased when Trastuzumab is combined with Aclarubicin. Additional Data Available- Extended DescriptionExtended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
Learn more - Severity
- Evidence Level
- ActionAction
An effect category for each drug interaction. Know how this interaction affects the subject drug.
Learn more
- Food Interactions
- Not Available
Products
- Product Ingredients
Ingredient UNII CAS InChI Key Aclarubicin hydrochloride 501948RI66 75443-99-1 KUSMIBXCRZTVML-PCCPLWKKSA-N
Categories
- ATC Codes
- L01DB04 — Aclarubicin
- 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 / Anthracenecarboxylic acids / Anthraquinones / Naphthalenecarboxylic acids and derivatives / Disaccharides / O-glycosyl compounds / Tetralins / Aryl ketones / 1-hydroxy-2-unsubstituted benzenoids show 16 more
- Substituents
- 1,4-anthraquinone / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / 1-naphthalenecarboxylic acid or derivatives / 9,10-anthraquinone / Acetal / Alcohol / Amine / Amino acid or derivatives / Amino saccharide show 37 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- phenols, trisaccharide derivative, methyl ester, polyketide, aminoglycoside, anthracycline, tetracenequinones (CHEBI:74619)
Chemical Identifiers
- UNII
- 74KXF8I502
- CAS number
- 57576-44-0
- InChI Key
- USZYSDMBJDPRIF-SVEJIMAYSA-N
- InChI
- InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
- IUPAC Name
- methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-{[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-{[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- SMILES
- CC[[email protected]@]1(O)C[[email protected]](O[[email protected]]2C[[email protected]@H]([[email protected]](O[[email protected]]3C[[email protected]](O)[[email protected]](O[[email protected]]4CCC(=O)[[email protected]](C)O4)[[email protected]](C)O3)[[email protected]](C)O2)N(C)C)C2=C(O)C3=C(C=C2[[email protected]]1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O
References
- General References
- Jensen PB, Jensen PS, Demant EJ, Friche E, Sorensen BS, Sehested M, Wassermann K, Vindelov L, Westergaard O, Hansen HH: Antagonistic effect of aclarubicin on daunorubicin-induced cytotoxicity in human small cell lung cancer cells: relationship to DNA integrity and topoisomerase II. Cancer Res. 1991 Oct 1;51(19):5093-9. [PubMed:1655244]
- Pang B, Qiao X, Janssen L, Velds A, Groothuis T, Kerkhoven R, Nieuwland M, Ovaa H, Rottenberg S, van Tellingen O, Janssen J, Huijgens P, Zwart W, Neefjes J: Drug-induced histone eviction from open chromatin contributes to the chemotherapeutic effects of doxorubicin. Nat Commun. 2013;4:1908. doi: 10.1038/ncomms2921. [PubMed:23715267]
- Pang B, de Jong J, Qiao X, Wessels LF, Neefjes J: Chemical profiling of the genome with anti-cancer drugs defines target specificities. Nat Chem Biol. 2015 Jul;11(7):472-80. doi: 10.1038/nchembio.1811. Epub 2015 May 11. [PubMed:25961671]
- External Links
- KEGG Drug
- D02756
- KEGG Compound
- C18638
- PubChem Compound
- 451415
- PubChem Substance
- 347828010
- ChemSpider
- 397638
- BindingDB
- 50368351
- 239
- ChEBI
- 74619
- ChEMBL
- CHEMBL502620
- ZINC
- ZINC000085537142
- Wikipedia
- Aclarubicin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Recruiting Treatment Acute Myeloid Leukemia (AML) / Induction chemotherapy 1 2 Not Yet Recruiting Treatment Acute Myeloid Leukemia (AML) / Elderly Patients / Newly Diagnosed 1 2 Recruiting Treatment Acute Myeloid Leukemia (AML) 1 2 Recruiting Treatment Acute Myeloid Leukemia (AML) / Relapsed Leukemia 1 1 Active Not Recruiting Treatment Cerebroretinal Vasculopathy, Hereditary / Vasculopathy, Retinal, With Cerebral Leukodystrophy 1 Not Available Recruiting Treatment Acute Myeloid Leukemia (AML) 1
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
Property Value Source Water Solubility 0.218 mg/mL ALOGPS logP 2.79 ALOGPS logP 3.98 ChemAxon logS -3.6 ALOGPS pKa (Strongest Acidic) 7.47 ChemAxon pKa (Strongest Basic) 8.64 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 15 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 217.05 Å2 ChemAxon Rotatable Bond Count 10 ChemAxon Refractivity 203.87 m3·mol-1 ChemAxon Polarizability 84.31 Å3 ChemAxon Number of Rings 7 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created on August 25, 2016 17:13 / Updated on June 12, 2020 10:53
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