NAV

Fenobam

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

Identification

Generic Name
Fenobam
DrugBank Accession Number
DB12931
Background

Fenobam is under investigation in clinical trial NCT00637221 (Open Label Study Investigating Safety and Efficacy of Fenobam anhydrous 50 mg - 150 mg on Prepulse Inhibition Tests and Continuous Performance Tasks, Adults With Fragile X Syndrome).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 266.69
Monoisotopic: 266.0570533
Chemical Formula
C11H11ClN4O2
Synonyms
  • Fenobam
  • Fenobam anhydrous
  • Fenobamum
External IDs
  • NPL-2009
  • NPL2009
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Products

Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Product Ingredients
IngredientUNIICASInChI Key
Fenobam hydrochloride18X2C0C12ZNot AvailableBWCJZAGTBVMMTO-UHFFFAOYSA-N
Fenobam monohydrate07O6708M0263540-28-3UNFQKKSADLVQJE-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
N-phenylureas
Direct Parent
N-phenylureas
Alternative Parents
Alpha amino acids and derivatives / Chlorobenzenes / Imidazolinones / Aryl chlorides / Ureas / N-acylimines / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Azacyclic compounds
show 5 more
Substituents
2-imidazoline / Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Carbonic acid derivative / Carbonyl group / Carboximidamide / Carboxylic acid derivative
show 19 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
078RCY7I27
CAS number
57653-26-6
InChI Key
DWPQODZAOSWNHB-UHFFFAOYSA-N
InChI
InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
IUPAC Name
1-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea
SMILES
CN1CC(=O)N=C1NC(=O)NC1=CC=CC(Cl)=C1

References

General References
Not Available
Human Metabolome Database
HMDB0252204
PubChem Compound
162834
PubChem Substance
347829076
ChemSpider
142953
BindingDB
50105838
ChEBI
92728
ChEMBL
CHEMBL239800
ZINC
ZINC000000001436
PDBe Ligand
D7W
Wikipedia
Fenobam
PDB Entries
6ffh

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableAllodynia / Hyperalgesia1
1CompletedNot AvailableHealthy Volunteers (HV)1
1, 2CompletedTreatmentFragile X Syndrome1

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 Solubility0.552 mg/mLALOGPS
logP1.29ALOGPS
logP0.98Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)10.16Chemaxon
pKa (Strongest Basic)1.28Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area73.8 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity67.7 m3·mol-1Chemaxon
Polarizability25.77 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-014i-0390000000-a022a6caabccee44a66f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-0940000000-13b39c4f880711c96104
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0wmi-4940000000-e9e88460879645a405b6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dm-8900000000-a6ebd4e6fa37b07c9a4d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-9510000000-909e63298788c8b0202b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fr6-9400000000-ac609620d4175d821ec2
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]-152.10536
predicted
DeepCCS 1.0 (2019)
[M+H]+154.46336
predicted
DeepCCS 1.0 (2019)
[M+Na]+160.5565
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:24 / Updated at September 28, 2023 05:47