NAV

5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine

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

Identification

Generic Name
5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-1H-1,2,4-triazol-3-amine
DrugBank Accession Number
DB18065
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 390.92
Monoisotopic: 390.1934872
Chemical Formula
C19H27ClN6O
Synonyms
  • 1H-1,2,4-Triazol-3-amine, 5-[4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-morpholinyl]-1-piperidinyl]-
  • 5-[4-[(2S,5S)-5-[(4-Chlorophenyl)methyl]-2-methyl-4-morpholinyl]-1-piperidinyl]-1H-1,2,4-triazol-3-amine
External IDs
  • GLP 4716
  • GLPG4716
  • OAT 889
  • OATD 01
  • OATD-01
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
X4D0G881CN
CAS number
2088453-21-6
InChI Key
STWVLEKJQQRGMO-GUYCJALGSA-N
InChI
InChI=1S/C19H27ClN6O/c1-13-11-26(17(12-27-13)10-14-2-4-15(20)5-3-14)16-6-8-25(9-7-16)19-22-18(21)23-24-19/h2-5,13,16-17H,6-12H2,1H3,(H3,21,22,23,24)/t13-,17-/m0/s1
IUPAC Name
5-{4-[(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methylmorpholin-4-yl]piperidin-1-yl}-1H-1,2,4-triazol-3-amine
SMILES
C[C@H]1CN([C@@H](CC2=CC=C(Cl)C=C2)CO1)C1CCN(CC1)C1=NC(N)=NN1

References

General References
Not Available
ChemSpider
114877003
ChEMBL
CHEMBL4788866
PDBe Ligand
QGB
PDB Entries
6ze8

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2Not Yet RecruitingTreatmentSarcoidosis, Pulmonary1
1CompletedBasic ScienceHealthy Subjects (HS)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
logP3.13Chemaxon
pKa (Strongest Acidic)13.43Chemaxon
pKa (Strongest Basic)8.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.3 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity110.25 m3·mol-1Chemaxon
Polarizability41.7 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
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 08, 2023 21:01 / Updated at September 12, 2023 18:33