NAV

Deucrictibant

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

Identification

Generic Name
Deucrictibant
DrugBank Accession Number
DB18303
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 534.94
Monoisotopic: 534.1504286
Chemical Formula
C25H23ClF3N5O3
Synonyms
  • Acetamide, N-[(1S)-1-[3-chloro-5-fluoro-2-[[[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5- yl)-8-quinolinyl]oxy]methyl]phenyl]ethyl-1-d]-2-(difluoromethoxy)-
  • N-[(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2H)ethyl]-2-(difluoromethoxy)acetamide
  • N-{(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8- yl]oxy}methyl)phenyl](1-2H)ethyl}-2-(difluoromethoxy)acetamide
External IDs
  • PHA-022121
  • PHA-121
  • PHVS-719
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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
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
69GCA2KX22
CAS number
2340111-58-0
InChI Key
ZTCLCSCHTACERP-WTDRUJNCSA-N
InChI
InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m1/s1/i14D
IUPAC Name
N-[(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2H)ethyl]-2-(difluoromethoxy)acetamide
SMILES
[2H][C@@](C)(NC(=O)COC(F)F)C1=CC(F)=CC(Cl)=C1COC1=CC=CC2=C(C=C(C)N=C12)C1=NC=NN1C

References

General References
Not Available
ChemSpider
115010415

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingPreventionAcute attacks of hereditary angioedema / C1 Esterase Inhibitor Deficiency / C1 Inhibitor Deficiency / Hereditary Angioedema (HAE) / Hereditary Angioedema Type I / Hereditary Angioedema Type I and II / Hereditary Angioedema Type II / Hereditary Angioedema With C1 Esterase Inhibitor Deficiency1
2CompletedTreatmentAcute attacks of hereditary angioedema / C1 Esterase Inhibitor Deficiency / C1 Inhibitor Deficiency / Hereditary Angioedema (HAE) / Hereditary Angioedema Type I / Hereditary Angioedema Type I and II / Hereditary Angioedema Type II / Hereditary Angioedema With C1 Esterase Inhibitor Deficiency1
2, 3RecruitingTreatmentAcute attacks of hereditary angioedema / C1 Esterase Inhibitor Deficiency / C1 Inhibitor Deficiency / Hereditary Angioedema (HAE) / Hereditary Angioedema Type I / Hereditary Angioedema Type I and II / Hereditary Angioedema Type II / Hereditary Angioedema With C1 Esterase Inhibitor Deficiency1

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
logP4.46Chemaxon
pKa (Strongest Acidic)12.22Chemaxon
pKa (Strongest Basic)3.25Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area91.16 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity152.65 m3·mol-1Chemaxon
Polarizability51.14 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 22:14 / Updated at September 17, 2023 04:16