NAV

AZD-9977

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
3D
Similar Structures
Weight
Average: 399.378
Monoisotopic: 399.123048855
Chemical Formula
C20H18FN3O5
Synonyms
Not Available
External IDs
  • AZD9977
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Pharmacology

Indication

Not Available

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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 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
ChemSpider
75531296
BindingDB
238159
ChEMBL
CHEMBL3916929
PDBe Ligand
ECV
PDB Entries
5mwp

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Kidney Disease (CKD) / Heart Failure1
1CompletedBasic ScienceCardiovascular Disease (CVD)1
1CompletedBasic ScienceHealthy Volunteers (HV) / Pharmacodynamics1
1CompletedBasic ScienceHealthy Volunteers (HV) / Pharmacokinetics / Safety / Tolerability1
1CompletedTreatmentHealthy 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 Solubility0.479 mg/mLALOGPS
logP1.26ALOGPS
logP0.72Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)11.46Chemaxon
pKa (Strongest Basic)-2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area96.97 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.36 m3·mol-1Chemaxon
Polarizability38.12 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0udi-0205900000-677ff1582ea9c4179247
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0009000000-36f27e531a172e74b58f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fvl-1809200000-80e6d49703cf0382843a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01dm-0119000000-8fdb58b979540dc412dc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00pi-2901000000-b3a69052b3c3b5547b28
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-114i-6529000000-79155f7bcfaf4b2cf9cd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:28 / Updated at June 12, 2020 16:53