NAV

Fedovapagon

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

Identification

Generic Name
Fedovapagon
DrugBank Accession Number
DB11734
Background

Fedovapagon has been used in trials studying the treatment of Nocturia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 462.594
Monoisotopic: 462.263090971
Chemical Formula
C27H34N4O3
Synonyms
  • Fedovapagon
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Proline and derivatives
Alternative Parents
Alpha amino acid amides / Benzazepines / m-Toluamides / Benzamides / Pyrrolidinecarboxamides / Benzoyl derivatives / Azepines / Tertiary carboxylic acid amides / Ureas / Azacyclic compounds
show 4 more
Substituents
Alpha-amino acid amide / Aromatic heteropolycyclic compound / Azacycle / Azepine / Benzamide / Benzazepine / Benzenoid / Benzoic acid or derivatives / Benzoyl / Carbonyl group
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
VX2GBO4I0V
CAS number
347887-36-9
InChI Key
RUOLFWZIFNQQGH-DEOSSOPVSA-N
InChI
InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1
IUPAC Name
(2S)-N2,N2-dimethyl-N1-{[2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl]methyl}pyrrolidine-1,2-dicarboxamide
SMILES
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCC1=CC=C(C=C1C)C(=O)N1CCCCC2=C1C=CC=C2

References

General References
Not Available
PubChem Compound
10298385
PubChem Substance
347828092
ChemSpider
8473853
BindingDB
50246575
ChEMBL
CHEMBL518043
ZINC
ZINC000038471398

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentNocturia1
2, 3CompletedTreatmentNocturia1
1CompletedTreatmentHealthy Volunteers (HV)1
1CompletedTreatmentNocturia1

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 Solubility0.0762 mg/mLALOGPS
logP3.07ALOGPS
logP3.17Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.79Chemaxon
pKa (Strongest Basic)-1.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area72.96 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity133.63 m3·mol-1Chemaxon
Polarizability51.2 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-00kb-0947400000-58a025ca51a676470f52
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2910300000-09fc5490f3c18d3d62c2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01vk-4911500000-011d90336cce8e2977b6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-9300000000-9644ad0467b6ceeee8fa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-6940200000-408e6d9cd7a5d092f127
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00mp-9500100000-6d2e362f439ddf96d52c
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]-227.1585563
predicted
DarkChem Lite v0.1.0
[M-H]-199.4388
predicted
DeepCCS 1.0 (2019)
[M+H]+227.1418563
predicted
DarkChem Lite v0.1.0
[M+H]+201.83437
predicted
DeepCCS 1.0 (2019)
[M+Na]+227.5399563
predicted
DarkChem Lite v0.1.0
[M+Na]+207.74687
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:43 / Updated at February 21, 2021 18:53