AZD-4547

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

Identification

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Name
AZD-4547
Accession Number
DB12247
Type
Small Molecule
Groups
Investigational
Description

AZD4547 has been used in trials studying the treatment of Cancer, LYMPHOMA, Gastric Cancer, Adenocarcinoma, and Solid Neoplasm, among others.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
2167OG1EKJ
CAS number
1035270-39-3
Weight
Average: 463.582
Monoisotopic: 463.258339943
Chemical Formula
C26H33N5O3
InChI Key
VRQMAABPASPXMW-HDICACEKSA-N
InChI
InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
IUPAC Name
N-{5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
SMILES
COC1=CC(OC)=CC(CCC2=CC(NC(=O)C3=CC=C(C=C3)N3C[C@H](C)N[C@H](C)C3)=NN2)=C1

Pharmacology

Indication
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
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

References

General References
Not Available
External Links
PubChem Compound
51039095
PubChem Substance
347828524
ChemSpider
26333104
BindingDB
50065454
ChEBI
63453
ChEMBL
CHEMBL3348846
HET
66T
PDB Entries
4rwj / 4rwk / 4v05 / 4wun

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0217 mg/mLALOGPS
logP3.78ALOGPS
logP4.35ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)13.74ChemAxon
pKa (Strongest Basic)9.02ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area91.51 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity136.91 m3·mol-1ChemAxon
Polarizability54.09 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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 phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines / Aminobenzoic acids and derivatives / Dimethoxybenzenes / Benzamides / Phenoxy compounds / Dialkylarylamines / Aniline and substituted anilines / Benzoyl derivatives / Anisoles / Alkyl aryl ethers
show 10 more
Substituents
Phenylpiperazine / N-arylpiperazine / Aminobenzoic acid or derivatives / Dimethoxybenzene / M-dimethoxybenzene / Benzamide / Benzoic acid or derivatives / Anisole / Phenoxy compound / Benzoyl
show 30 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
pyrazoles, N-arylpiperazine, benzamides (CHEBI:63453)

Drug created on October 20, 2016 15:43 / Updated on December 02, 2019 09:21