NAV

Fenamole

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

Identification

Generic Name
Fenamole
DrugBank Accession Number
DB12506
Background

Fenamole has been investigated for the supportive care of Side Effects and Dental Plaque.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 161.168
Monoisotopic: 161.070145245
Chemical Formula
C7H7N5
Synonyms
  • Fenamole
  • Fenamolum
  • PAT
External IDs
  • AL 0559
  • NSC-25413
  • P-463
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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 phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Azoles
Sub Class
Tetrazoles
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Benzene and substituted derivatives / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
K4H264PBQ7
CAS number
5467-78-7
InChI Key
ULIDRMKBVYYVIQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)
IUPAC Name
1-phenyl-1H-1,2,3,4-tetrazol-5-amine
SMILES
NC1=NN=NN1C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
21640
PubChem Substance
347828737
ChemSpider
20339
ChEMBL
CHEMBL2106224
ZINC
ZINC000016970473

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility5.61 mg/mLALOGPS
logP0.37ALOGPS
logP0.87Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)16.05Chemaxon
pKa (Strongest Basic)-0.77Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.62 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity47.17 m3·mol-1Chemaxon
Polarizability15.42 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-03di-0900000000-32bbb3fe864385198d00
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-82c70fb3f720aac24db0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-8df61863b7e9b17d833c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-1900000000-b6cb376d00bb05229b58
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-9200000000-65b661f53c1089c90ca3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-066r-7900000000-9e8a20461c451b26f55e
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]-133.5328325
predicted
DarkChem Lite v0.1.0
[M-H]-126.5207
predicted
DeepCCS 1.0 (2019)
[M+H]+133.3681325
predicted
DarkChem Lite v0.1.0
[M+H]+129.68536
predicted
DeepCCS 1.0 (2019)
[M+Na]+133.9882325
predicted
DarkChem Lite v0.1.0
[M+Na]+138.86418
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:39 / Updated at February 21, 2021 18:53