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Brensocatib

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

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Identification

Generic Name
Brensocatib
DrugBank Accession Number
DB15638
Background

Brensocatib is under investigation in clinical trial NCT03218917 (Assessment of INS1007 in Subjects With Non-cystic Fibrosis Bronchiectasis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 420.469
Monoisotopic: 420.179755269
Chemical Formula
C23H24N4O4
Synonyms
  • (S)-N-((S)-1-Cyano-2-(4-(3-methyl-2-oxo-2,3-dihydrobenzo-(d)oxazol-5-yl)phenyl)ethyl)-1,4-oxazepane-2-carboxamide
  • Brensocatib
External IDs
  • AZD 7986
  • AZD-7986
  • AZD7986
  • INS-1007
  • INS1007
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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 beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzoxazolones / Amphetamines and derivatives / 1,4-oxazepines / Oxazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Oxacyclic compounds / Nitriles / Dialkylamines / Dialkyl ethers
show 5 more
Substituents
Amine / Amphetamine or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzoxazole / Benzoxazolone / Beta amino acid or derivatives / Carbonitrile
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
25CG88L0BB
CAS number
1802148-05-5
InChI Key
AEXFXNFMSAAELR-RXVVDRJESA-N
InChI
InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
IUPAC Name
(2S)-N-[(1S)-1-cyano-2-[4-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
SMILES
CN1C(=O)OC2=CC=C(C=C12)C1=CC=C(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)C=C1

References

General References
Not Available
ChemSpider
67896269
BindingDB
50195235
ChEMBL
CHEMBL3900409

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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Not AvailableAvailableNot AvailableNoncystic Fibrosis Bronchiectasis (NCFB)1somestatusstop reasonjust information to hide
3Active Not RecruitingTreatmentNoncystic Fibrosis Bronchiectasis (NCFB)1somestatusstop reasonjust information to hide
3CompletedTreatmentCoronavirus Disease 2019 (COVID‑19)1somestatusstop reasonjust information to hide
2CompletedTreatmentCystic Fibrosis (CF)1somestatusstop reasonjust information to hide
2CompletedTreatmentNoncystic Fibrosis Bronchiectasis (NCFB)1somestatusstop reasonjust information to hide

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 Solubility0.0693 mg/mLALOGPS
logP1.74ALOGPS
logP1.39Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.64Chemaxon
pKa (Strongest Basic)8.97Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area103.69 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity113.82 m3·mol-1Chemaxon
Polarizability45.27 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/MSsplash10-00di-0000900000-48009573cda04477bfa6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-016u-7047900000-fc661d1fc49bf69a8347
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fdo-0249600000-063c86a4f49d78400a11
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-6059300000-2f8f059ff4fc06644866
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v4i-5982000000-160030af0bb2a81f311e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9553100000-6f4686066f6db8af464c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 08, 2020 00:46 / Updated at February 21, 2021 18:55