NAV

Linafexor

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

Identification

Generic Name
Linafexor
DrugBank Accession Number
DB18031
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 571.43
Monoisotopic: 570.1236889
Chemical Formula
C28H25Cl2FN4O4
Synonyms
  • 1,2,4-OXADIAZOL-5(2H)-ONE, 3-(4-(3-((5-CYCLOPROPYL-3-(2,6-DICHLOROPHENYL)-4-ISOXAZOLYL)METHOXY)-8-AZABICYCLO(3.2.1)OCT-8-YL)-2-FLUOROPHENYL)-
  • 3-(4-((3-endo)-3-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4- yl)methoxy)-8-azabicyclo[3.2.1]octan-8-yl)-2-fluorophenyl)-1,2,4-oxadiazol-5(4H)-one
External IDs
  • CS 0159
  • CS-0159
  • CS0159
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
US5Q3KD5RD
CAS number
2499656-04-9
InChI Key
CEEANZUSISGCJL-VQFNDLOPSA-N
InChI
InChI=1S/C28H25Cl2FN4O4/c29-21-2-1-3-22(30)24(21)25-20(26(38-33-25)14-4-5-14)13-37-18-10-15-6-7-16(11-18)35(15)17-8-9-19(23(31)12-17)27-32-28(36)39-34-27/h1-3,8-9,12,14-16,18H,4-7,10-11,13H2,(H,32,34,36)/t15-,16-/m0/s1
IUPAC Name
3-{4-[(1R,3R,5S)-3-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}-8-azabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
SMILES
FC1=CC(=CC=C1C1=NOC(=O)N1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(Cl)C=CC=C1Cl)C1CC1

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNon-Alcoholic Steatohepatitis (NASH)1
2RecruitingTreatmentPrimary Biliary Cholangitis1
2RecruitingTreatmentPrimary Sclerosing Cholangitis (PSC)1
1CompletedOtherPrimary Biliary Cholangitis1
1CompletedTreatmentPrimary Biliary Cholangitis1

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
logP6.01Chemaxon
pKa (Strongest Acidic)6.51Chemaxon
pKa (Strongest Basic)5.73Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area89.19 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity144.66 m3·mol-1Chemaxon
Polarizability56.22 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability0Chemaxon
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 08, 2023 16:19 / Updated at September 12, 2023 18:32