This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Volasertib
- DrugBank Accession Number
- DB12062
- Background
Volasertib has been used in trials studying the treatment of Leukemia, Neoplasms, Leukemia, Myeloid, Acute, Myelodysplastic Syndromes, and Leukemia, Monocytic, Acute, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Volasertib (DB12062)
- Weight
- Average: 618.8126
Monoisotopic: 618.400587506 - Chemical Formula
- C34H50N8O3
- Synonyms
- Volasertib
- External IDs
- BI 6727
- BI-6727
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USerine/threonine-protein kinase PLK1 inhibitorHumans - 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Volasertib is combined with Cinchocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Volasertib trihydrochloride O72812O5MN 946161-17-7 JFEPFDDQDQBWIL-VCVQLDHKSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pteridines and derivatives
- Sub Class
- Not Available
- Direct Parent
- Pteridines and derivatives
- Alternative Parents
- Alpha amino acids and derivatives / Benzamides / Methoxyanilines / Anisoles / Phenoxy compounds / Benzoyl derivatives / Dialkylarylamines / Methoxybenzenes / Alkyl aryl ethers / Aminopyrimidines and derivatives show 12 more
- Substituents
- 1,4-diazinane / Alkyl aryl ether / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aminopyrimidine / Aniline or substituted anilines / Anisole / Aromatic heteropolycyclic compound / Azacycle show 32 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6EM57086EA
- CAS number
- 755038-65-4
- InChI Key
- SXNJFOWDRLKDSF-STROYTFGSA-N
- InChI
- InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
- IUPAC Name
- 4-{[(7R)-7-ethyl-5-methyl-6-oxo-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-[(1r,4r)-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]benzamide
- SMILES
- CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 10461508
- PubChem Substance
- 347828371
- ChemSpider
- 26327706
- BindingDB
- 50402023
- ChEMBL
- CHEMBL1233528
- PDBe Ligand
- IBI
- Wikipedia
- Volasertib
- PDB Entries
- 3fc2 / 5v67 / 5vbr / 7lak / 7lej / 7n7n
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Acute Myeloid Leukemia 1 2 Completed Treatment Acute Myeloid Leukemia 1 2 Completed Treatment Neoplasm 1 2 Completed Treatment Non-Small Cell Lung Carcinoma 1 2 Completed Treatment Ovarian Neoplasms 1 2 Terminated Treatment Acute Myeloid Leukemia / High-risk Myelodysplastic Syndrome (MDS) 1 1 Completed Treatment Acute Myeloid Leukemia 1 1 Completed Treatment Chronic Myelomonocytic Leukemia / Myelodysplastic Syndrome 1 1 Completed Treatment Leukemias / Neoplasm 1 1 Completed Treatment Neoplasm 8
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
Property Value Source Water Solubility 0.0664 mg/mL ALOGPS logP 4.65 ALOGPS logP 4.2 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 12.25 Chemaxon pKa (Strongest Basic) 8.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 106.17 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 178.34 m3·mol-1 Chemaxon Polarizability 72.64 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 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
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Protein serine/threonine kinase activity
- Specific Function
- Serine/threonine-protein kinase that performs several important functions throughout M phase of the cell cycle, including the regulation of centrosome maturation and spindle assembly, the removal o...
- Gene Name
- PLK1
- Uniprot ID
- P53350
- Uniprot Name
- Serine/threonine-protein kinase PLK1
- Molecular Weight
- 68254.03 Da
References
- Su S, Chhabra G, Ndiaye MA, Singh CK, Ye T, Huang W, Dewey CN, Setaluri V, Ahmad N: PLK1 and NOTCH Positively Correlate in Melanoma and Their Combined Inhibition Results in Synergistic Modulations of Key Melanoma Pathways. Mol Cancer Ther. 2021 Jan;20(1):161-172. doi: 10.1158/1535-7163.MCT-20-0654. Epub 2020 Nov 11. [Article]
Drug created at October 20, 2016 21:17 / Updated at June 30, 2022 20:59