Barasertib

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

Identification

Generic Name
Barasertib
DrugBank Accession Number
DB11747
Background

Barasertib has been used in trials studying the treatment of Tumors, Lymphoma, Solid Tumors, Solid Tumours, and Myeloid Leukemia, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 587.549
Monoisotopic: 587.205746907
Chemical Formula
C26H31FN7O6P
Synonyms
  • Barasertib
External IDs
  • AZD 1152
  • AZD-1152
  • AZD1152

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolinamines
Alternative Parents
Anilides / Phosphoethanolamines / Phenol ethers / N-arylamides / Alkyl aryl ethers / Aminopyrimidines and derivatives / Fluorobenzenes / Monoalkyl phosphates / Aryl fluorides / Imidolactams
show 10 more
Substituents
Alkyl aryl ether / Alkyl phosphate / Amine / Amino acid or derivatives / Aminopyrimidine / Anilide / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle
show 31 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
16XC2U7W8N
CAS number
722543-31-9
InChI Key
GBJVVSCPOBPEIT-UHFFFAOYSA-N
InChI
InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
IUPAC Name
(2-{ethyl[3-({4-[(3-{[(3-fluorophenyl)carbamoyl]methyl}-1H-pyrazol-5-yl)amino]quinazolin-7-yl}oxy)propyl]amino}ethoxy)phosphonic acid
SMILES
CCN(CCCOC1=CC=C2C(NC3=CC(CC(=O)NC4=CC=CC(F)=C4)=NN3)=NC=NC2=C1)CCOP(O)(O)=O

References

General References
Not Available
PubChem Compound
11497983
PubChem Substance
347828104
ChemSpider
9672789
BindingDB
50241089
ChEMBL
CHEMBL415049
ZINC
ZINC000043129461

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3CompletedTreatmentAcute Myeloid Leukemia (AML)1
1CompletedTreatmentAcute Myeloid Leukemia (AML)3
1CompletedTreatmentMyeloid Leukemias1
1CompletedTreatmentTumors1
1TerminatedTreatmentTumors, Solid2
1, 2CompletedTreatmentMalignant Lymphomas1
1, 2TerminatedTreatmentAcute Myeloid Leukemia (AML)1

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 Solubility0.0468 mg/mLALOGPS
logP2.97ALOGPS
logP1.36ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)1.5ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area174.82 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity151.23 m3·mol-1ChemAxon
Polarizability58.54 Å3ChemAxon
Number of Rings4ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 20:44 / Updated on February 21, 2021 18:53