NAV

Farampator

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

Identification

Generic Name
Farampator
DrugBank Accession Number
DB15012
Background

Farampator is under investigation in clinical trial NCT00113022 (Org 24448 to Treat Major Depression).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 231.255
Monoisotopic: 231.100776671
Chemical Formula
C12H13N3O2
Synonyms
  • Farampator
External IDs
  • ORG 24448
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7X6P5N8K2L
CAS number
211735-76-1
InChI Key
XFVRBYKKGGDPAJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2
IUPAC Name
5-(piperidine-1-carbonyl)-2,1,3-benzoxadiazole
SMILES
O=C(N1CCCCC1)C1=CC2=NON=C2C=C1

References

General References
Not Available
ChemSpider
3331565
ChEMBL
CHEMBL1276138
ZINC
ZINC000000007461
Wikipedia
Farampator

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentDepression1
2WithdrawnTreatmentMajor Depressive Disorder (MDD)1
2WithdrawnTreatmentSchizophrenia1
Not AvailableCompletedNot AvailablePsychosis1

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 Solubility1.18 mg/mLALOGPS
logP1.87ALOGPS
logP1.47Chemaxon
logS-2.3ALOGPS
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area59.23 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity63.15 m3·mol-1Chemaxon
Polarizability23.67 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-001j-0590000000-516d686eece143df92d6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0390000000-0b0772d77f3b7e3d8fd7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001j-0980000000-8e28eb34973f96b94981
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0290000000-dcc998648dbd8b15436d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1910000000-6e014350c299547d3110
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gi3-3910000000-a6e3f46c6217ee2e2133
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-157.8302144
predicted
DarkChem Lite v0.1.0
[M+H]+158.5973144
predicted
DarkChem Lite v0.1.0
[M+Na]+158.2137144
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:42 / Updated at February 21, 2021 18:55