AZD-9977
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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-9977
- DrugBank Accession Number
- DB15418
- Background
AZD-9977 is under investigation in clinical trial NCT03843060 (A Phase 1 Study to Assess the Pharmacokinetics of AZD9977 Administered Alone and in Combination With Itraconazole in Healthy Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 399.378
Monoisotopic: 399.123048855 - Chemical Formula
- C20H18FN3O5
- Synonyms
- Not Available
- External IDs
- AZD9977
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 benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzoxazines
- Sub Class
- Benzoxazinones
- Direct Parent
- Benzoxazinones
- Alternative Parents
- Beta amino acids and derivatives / Benzomorpholines / Alkyl aryl ethers / Benzenoids / Aryl fluorides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Lactams / Oxacyclic compounds / Azacyclic compounds show 6 more
- Substituents
- Alkyl aryl ether / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Benzomorpholine / Benzoxazinone / Beta amino acid or derivatives / Carbonyl group show 17 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6C9UKZ0CYE
- CAS number
- 1850385-64-6
- InChI Key
- MBKYLPOPYYLTNW-ZDUSSCGKSA-N
- InChI
- InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
- IUPAC Name
- 2-[(3S)-7-fluoro-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-methylacetamide
- SMILES
- CNC(=O)C[C@H]1COC2=C(C=CC(F)=C2)N1C(=O)C1=CC2=C(OCC(=O)N2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 75531296
- BindingDB
- 238159
- ChEMBL
- CHEMBL3916929
- PDBe Ligand
- ECV
- PDB Entries
- 5mwp
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Kidney Disease (CKD) / Heart Failure 1 1 Completed Basic Science Cardiovascular Disease (CVD) 1 1 Completed Basic Science Healthy Volunteers (HV) / Pharmacodynamics 1 1 Completed Basic Science Healthy Volunteers (HV) / Pharmacokinetics / Safety / Tolerability 1 1 Completed Treatment 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 0.479 mg/mL ALOGPS logP 1.26 ALOGPS logP 0.72 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 11.46 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.97 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 101.36 m3·mol-1 Chemaxon Polarizability 38.12 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-0udi-0205900000-677ff1582ea9c4179247 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-0009000000-36f27e531a172e74b58f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fvl-1809200000-80e6d49703cf0382843a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01dm-0119000000-8fdb58b979540dc412dc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00pi-2901000000-b3a69052b3c3b5547b28 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-114i-6529000000-79155f7bcfaf4b2cf9cd Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:28 / Updated at June 12, 2020 16:53