NAV

Burixafor

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

Identification

Generic Name
Burixafor
DrugBank Accession Number
DB11970
Background

Burixafor has been used in trials studying the treatment of Multiple Myeloma, Hodgkin's Disease, and Non-hodgkin's Lymphoma.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 566.732
Monoisotopic: 566.382174532
Chemical Formula
C27H51N8O3P
Synonyms
  • Burixafor
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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
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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Dialkylarylamines / Aminopyrimidines and derivatives / Cyclohexylamines / N-alkylpiperazines / Secondary alkylarylamines / Imidolactams / Organic phosphonic acids / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds
show 6 more
Substituents
Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Cyclohexylamine / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam / N-alkylpiperazine
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2G17Y0Q20G
CAS number
1191448-17-5
InChI Key
QLVSJMZJSABWRX-YHBQERECSA-N
InChI
InChI=1S/C27H51N8O3P/c28-25-19-26(35-15-13-34(14-16-35)17-18-39(36,37)38)33-27(32-25)31-21-23-9-7-22(8-10-23)20-29-11-4-12-30-24-5-2-1-3-6-24/h19,22-24,29-30H,1-18,20-21H2,(H2,36,37,38)(H3,28,31,32,33)/t22-,23-
IUPAC Name
(2-{4-[6-amino-2-({[(1r,4r)-4-({[3-(cyclohexylamino)propyl]amino}methyl)cyclohexyl]methyl}amino)pyrimidin-4-yl]piperazin-1-yl}ethyl)phosphonic acid
SMILES
NC1=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=NC(=C1)N1CCN(CCP(O)(O)=O)CC1

References

General References
Not Available
PubChem Compound
44479007
PubChem Substance
347828294
ChemSpider
32701870

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHodgkins Disease (HD) / Multiple Myeloma (MM) / Non-Hodgkin's Lymphoma (NHL)1
1TerminatedTreatmentProstate Cancer1

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 Solubility0.0624 mg/mLALOGPS
logP2.41ALOGPS
logP-0.38Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)1.28Chemaxon
pKa (Strongest Basic)10.86Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area151.9 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity161.18 m3·mol-1Chemaxon
Polarizability65.83 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/MSsplash10-014i-0000090000-3fde5f5b0908ff064502
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000390000-8623f4f628c01be744ed
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000090000-3c2939a86cf54e5d5c39
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-1010090000-b0ae64d76c87fc5ca1a4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0159-3611940000-ddf2664e1ec317bd481e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02di-3391630000-ad2f49724ba9af9e9b9c
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-220.05608
predicted
DeepCCS 1.0 (2019)
[M+H]+222.45164
predicted
DeepCCS 1.0 (2019)
[M+Na]+228.49763
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:07 / Updated at February 21, 2021 18:53