AZD-4877

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

Identification

Name
AZD-4877
Accession Number
DB11671
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
19ORU63E06
CAS number
1176760-49-8
Weight
Average: 503.67
Monoisotopic: 503.235496497
Chemical Formula
C28H33N5O2S
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

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentCancers / Carcinoma NOS / Tumors1
1CompletedTreatmentNeoplasms1
1TerminatedTreatmentAcute Myelogenous Leukaemia (AML)1
1TerminatedTreatmentMalignant Lymphomas1
1TerminatedTreatmentMalignant Lymphomas / NHL / Non-Hodgkin's Lymphoma (NHL)1
2CompletedTreatmentBladder Cancers / Renal Pelvis Cancer / Transitional Cell Bladder Cancer / Ureteral Cancer / Urethral 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 Solubility0.00292 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

Taxonomy

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
N,n-dialkyl-p-toluamide / Benzamide / Benzoic acid or derivatives / Benzoyl / Pyrimidone / Pyrimidine / Azole / Heteroaromatic compound / Thiazole / Tertiary carboxylic acid amide
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:38 / Updated on November 09, 2017 04:54