AZD-6280

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

Identification

Name
AZD-6280
Accession Number
DB12210
Type
Small Molecule
Groups
Investigational
Description

AZD6280 has been used in trials studying the basic science of Anxiety.

Structure
Thumb
Synonyms
Not Available
External IDs
AZD6280
Categories
UNII
B9Z1OEH19D
CAS number
942436-93-3
Weight
Average: 366.421
Monoisotopic: 366.169190584
Chemical Formula
C20H22N4O3
InChI Key
NVWCZRPXYVDQEE-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)
IUPAC Name
4-amino-8-(2,5-dimethoxyphenyl)-N-propylcinnoline-3-carboxamide
SMILES
CCCNC(=O)C1=NN=C2C(=CC=CC2=C1N)C1=CC(OC)=CC=C1OC

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
23630026
PubChem Substance
347828492
ChemSpider
26343053
BindingDB
50418456
ChEMBL
CHEMBL1783256

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers1
1CompletedBasic ScienceFeeling Anxious1
1CompletedBasic ScienceHealthy Volunteers2

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 Solubility0.0142 mg/mLALOGPS
logP2.88ALOGPS
logP2.64ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)14.38ChemAxon
pKa (Strongest Basic)3.78ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.36 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity105.48 m3·mol-1ChemAxon
Polarizability39.74 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 cinnolines. These are organic aromatic compounds containing a benzene fused to a pyridazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Cinnolines
Alternative Parents
Dimethoxybenzenes / Phenoxy compounds / Anisoles / 2-heteroaryl carboxamides / Aminopyridazines / Alkyl aryl ethers / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives
show 4 more
Substituents
Cinnoline / P-dimethoxybenzene / Dimethoxybenzene / 2-heteroaryl carboxamide / Phenoxy compound / Anisole / Methoxybenzene / Phenol ether / Alkyl aryl ether / Aminopyridazine
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:37 / Updated on November 09, 2017 05:03