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

Identification

Generic Name
AZD-4877
DrugBank Accession Number
DB11671
Background

AZD4877 has been used in trials studying the treatment of NHL, Tumors, Cancer, Lymphoma, and Neoplasms, among others.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 503.67
Monoisotopic: 503.235496497
Chemical Formula
C28H33N5O2S
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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 n,n-dialkyl-p-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Toluenes
Direct Parent
N,N-dialkyl-p-toluamides
Alternative Parents
Benzamides / Benzoyl derivatives / Pyrimidones / Thiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Lactams / Amino acids and derivatives / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzamide / Benzoic acid or derivatives / Benzoyl / Carboxamide group / Carboxylic acid derivative
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
19ORU63E06
CAS number
1176760-49-8
InChI Key
SMFXSYMLJDHGIE-UHFFFAOYSA-N
InChI
InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3
IUPAC Name
N-(3-aminopropyl)-N-(1-{5-benzyl-3-methyl-4-oxo-4H,5H-[1,2]thiazolo[5,4-d]pyrimidin-6-yl}-2-methylpropyl)-4-methylbenzamide
SMILES
CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1

References

General References
Not Available
PubChem Compound
10368812
PubChem Substance
347828039
ChemSpider
8544260
BindingDB
50353788
ChEMBL
CHEMBL1829433

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
Water Solubility0.00292 mg/mLALOGPS
logP3.86ALOGPS
logP4.19ChemAxon
logS-5.2ALOGPS
pKa (Strongest Basic)9.77ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area91.89 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity146.31 m3·mol-1ChemAxon
Polarizability55.48 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
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 at October 20, 2016 20:38 / Updated at June 12, 2020 16:53