AZD-6280
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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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 23630026
- PubChem Substance
- 347828492
- ChemSpider
- 26343053
- BindingDB
- 50418456
- ChEMBL
- CHEMBL1783256
- ZINC
- ZINC000071295757
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Basic Science Anxiety 1 1 Completed Basic Science Healthy 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
Property Value Source Water Solubility 0.0142 mg/mL ALOGPS logP 2.88 ALOGPS logP 2.64 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 14.38 Chemaxon pKa (Strongest Basic) 3.78 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.36 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 105.48 m3·mol-1 Chemaxon Polarizability 39.74 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-5bd35c3ce4a71279e1b2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0039000000-87fee0a93e42290c4862 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0900-0019000000-054c124518549184203e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-029x-1196000000-aa4a4588d329f806a822 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-1249000000-6285c640f94555be9561 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-02t9-1193000000-74a5ad3fec7e02fc1b1b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 181.34311 predictedDeepCCS 1.0 (2019) [M+H]+ 183.70111 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.84796 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:37 / Updated at June 12, 2020 16:53