NAV

5-[[trans-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy]-1H-1,2,3-triazole-4-carboxylic acid

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

Identification

Generic Name
5-[[trans-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy]-1H-1,2,3-triazole-4-carboxylic acid
DrugBank Accession Number
DB18067
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 371.316
Monoisotopic: 371.109290496
Chemical Formula
C16H16F3N3O4
Synonyms
  • 5-((trans-4-(4-(trifluoromethoxy)phenyl)cyclohexyl)oxy)-1h-1,2,3-triazole-4-carboxylic acid
  • 5-[[trans-4-[(trifluoromethoxy)phenyl]cyclohexyl]oxy]-1H-1,2,3-triazole-4-carboxylic acid
External IDs
  • BMN 255
  • BMN-255
  • BMN255
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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
WC82E7HRU5
CAS number
2360927-98-4
InChI Key
UINBFJPVDKLYIY-HOMQSWHASA-N
InChI
InChI=1S/C16H16F3N3O4/c17-16(18,19)26-12-7-3-10(4-8-12)9-1-5-11(6-2-9)25-14-13(15(23)24)20-22-21-14/h3-4,7-9,11H,1-2,5-6H2,(H,23,24)(H,20,21,22)/t9-,11-
IUPAC Name
5-{[(1r,4r)-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy}-1H-1,2,3-triazole-4-carboxylic acid
SMILES
OC(=O)C1=C(NN=N1)O[C@H]1CC[C@@H](CC1)C1=CC=C(OC(F)(F)F)C=C1

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentFatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Hyperoxaluria / Kidney Stones1

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
logP4.52Chemaxon
pKa (Strongest Acidic)3.17Chemaxon
pKa (Strongest Basic)-0.32Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area97.33 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity79.43 m3·mol-1Chemaxon
Polarizability33.28 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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 21:06 / Updated at February 05, 2024 00:29