Fenobam
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- Weight
- Average: 266.69
Monoisotopic: 266.0570533 - Chemical Formula
- C11H11ClN4O2
- Synonyms
- Fenobam
- Fenobam anhydrous
- Fenobamum
- External IDs
- NPL-2009
- NPL2009
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AMetabotropic glutamate receptor 5 allosteric modulatorHumans - 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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 regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Fenobam hydrochloride 18X2C0C12Z Not Available BWCJZAGTBVMMTO-UHFFFAOYSA-N Fenobam monohydrate 07O6708M02 63540-28-3 UNFQKKSADLVQJE-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
- External Links
- 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
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data1 Completed Not Available Allodynia / Hyperalgesia 1 somestatus stop reason just information to hide 1 Completed Not Available Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 1, 2 Completed Treatment Fragile X Syndrome 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.552 mg/mL ALOGPS logP 1.29 ALOGPS logP 0.98 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 1.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.8 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 67.7 m3·mol-1 Chemaxon Polarizability 25.77 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0390000000-a022a6caabccee44a66f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03xr-0940000000-13b39c4f880711c96104 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0wmi-4940000000-e9e88460879645a405b6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03dm-8900000000-a6ebd4e6fa37b07c9a4d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udj-9510000000-909e63298788c8b0202b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fr6-9400000000-ac609620d4175d821ec2 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.10536 predictedDeepCCS 1.0 (2019) [M+H]+ 154.46336 predictedDeepCCS 1.0 (2019) [M+Na]+ 160.5565 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsMetabotropic glutamate receptor 5
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Allosteric modulator
- General Function
- G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling activates a phosphatidylinositol-calcium second messenger system and generates a calcium-activated chloride current. Plays an important role in the regulation of synaptic plasticity and the modulation of the neural network activity
- Specific Function
- A2A adenosine receptor binding
- Gene Name
- GRM5
- Uniprot ID
- P41594
- Uniprot Name
- Metabotropic glutamate receptor 5
- Molecular Weight
- 132467.635 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 21, 2016 01:24 / Updated at August 26, 2024 19:22