NAV

BLU-9931

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

Identification

Generic Name
BLU-9931
DrugBank Accession Number
DB17985
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 509.39
Monoisotopic: 508.106896
Chemical Formula
C26H22Cl2N4O3
Synonyms
  • 2-propenamide, n-(2-((6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-quinazolinyl)amino)-3-methylphenyl)-
  • N-(2-((6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-quinazolinyl)amino)-3-methylphenyl)-2-propenamide
External IDs
  • BLU 9931
  • BLU-9931
  • BLU9931

Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
FQK825B5DX
CAS number
1538604-68-0
InChI Key
TXEBNKKOLVBTFK-UHFFFAOYSA-N
InChI
InChI=1S/C26H22Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h5-13H,1H2,2-4H3,(H,30,33)(H,29,31,32)
IUPAC Name
N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)prop-2-enamide
SMILES
COC1=CC(OC)=C(Cl)C(=C1Cl)C1=CC2=CN=C(NC3=C(C)C=CC=C3NC(=O)C=C)N=C2C=C1

References

General References
Not Available
ChemSpider
35000185
BindingDB
50233461
ChEMBL
CHEMBL4068896
ZINC
ZINC000210903069

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP6.59Chemaxon
pKa (Strongest Acidic)12.09Chemaxon
pKa (Strongest Basic)2.86Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area85.37 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity139.46 m3·mol-1Chemaxon
Polarizability52.24 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
Not Available

Drug created at July 14, 2023 21:46 / Updated at July 18, 2023 22:59