NAV

BIIB021

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

Identification

Generic Name
BIIB021
DrugBank Accession Number
DB12359
Background

BIIB021 has been investigated for the treatment of Tumors and Lymphoma.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 318.762
Monoisotopic: 318.099586839
Chemical Formula
C14H15ClN6O
Synonyms
Not Available
External IDs
  • BIIB 021
  • BIIB-021
  • BIIB021
  • CNF2024

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Biib021 Mesylate389JLN330H1225041-97-3QQYUAUPJJLOCHU-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyrimidines
Sub Class
Purines and purine derivatives
Direct Parent
Purines and purine derivatives
Alternative Parents
Methylpyridines / Halopyrimidines / Aminopyrimidines and derivatives / Alkyl aryl ethers / N-substituted imidazoles / Aryl chlorides / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds
show 2 more
Substituents
Alkyl aryl ether / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole / Ether / Halopyrimidine
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
851B9FQ7Q0
CAS number
848695-25-0
InChI Key
QULDDKSCVCJTPV-UHFFFAOYSA-N
InChI
InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
IUPAC Name
6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
SMILES
COC1=C(C)C=NC(CN2C=NC3=C(Cl)N=C(N)N=C23)=C1C

References

General References
Not Available
PubChem Compound
16736529
PubChem Substance
347828612
ChemSpider
10630347
BindingDB
20800
ChEBI
90687
ChEMBL
CHEMBL467399
ZINC
ZINC000014974583
PDBe Ligand
94M
PDB Entries
3o6o / 3qdd / 4z1g / 7s9f / 7s9g

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentGastrointestinal Stromal Tumor (GIST)1
1CompletedTreatmentAdvanced Solid Tumors2
1CompletedTreatmentBreast Cancer1
1CompletedTreatmentLymphoma / Tumor1
1TerminatedTreatmentB-Cell Chronic Lymphocytic Leukemia1

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 Solubility0.15 mg/mLALOGPS
logP1.77ALOGPS
logP2.06Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)16.28Chemaxon
pKa (Strongest Basic)7.18Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area91.74 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity85.47 m3·mol-1Chemaxon
Polarizability31.64 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 at October 20, 2016 22:04 / Updated at June 12, 2020 16:53