AZD-6280

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

Identification

Generic Name
AZD-6280
DrugBank Accession Number
DB12210
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 366.421
Monoisotopic: 366.169190584
Chemical Formula
C20H22N4O3
Synonyms
Not Available
External IDs
  • AZD6280

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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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 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
2-heteroaryl carboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyridazine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxamide group
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
B9Z1OEH19D
CAS number
942436-93-3
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

References

General References
Not Available
PubChem Compound
23630026
PubChem Substance
347828492
ChemSpider
26343053
BindingDB
50418456
ChEMBL
CHEMBL1783256
ZINC
ZINC000071295757

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedBasic ScienceAnxiety1
1CompletedBasic ScienceHealthy Volunteers (HV)2

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/MSsplash10-014i-0009000000-5bd35c3ce4a71279e1b2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0039000000-87fee0a93e42290c4862
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0900-0019000000-054c124518549184203e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-029x-1196000000-aa4a4588d329f806a822
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-1249000000-6285c640f94555be9561
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02t9-1193000000-74a5ad3fec7e02fc1b1b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-181.34311
predicted
DeepCCS 1.0 (2019)
[M+H]+183.70111
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.84796
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:37 / Updated at June 12, 2020 16:53