Benzodiazepine
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Benzodiazepine
- Accession Number
- DB12537
- Description
Benzodiazepine is under investigation for the prevention of Delirium and C.Surgical Procedure; Cardiac. Benzodiazepine has been investigated for the treatment of Obesity, Sleep Apnea, Obstructive, and Disorders of Gallbladder, Biliary Tract and Pancrease.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
Structure for Benzodiazepine (DB12537)
- Weight
- Average: 144.177
Monoisotopic: 144.068748266 - Chemical Formula
- C9H8N2
- Synonyms
- Not Available
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UGABA(A) Receptor positive allosteric modulatorHumans UGABA(A) Receptor Benzodiazepine Binding Site ligandHumans - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbametapir The serum concentration of Benzodiazepine can be increased when it is combined with Abametapir. Acetazolamide The risk or severity of adverse effects can be increased when Acetazolamide is combined with Benzodiazepine. Acetophenazine The risk or severity of adverse effects can be increased when Acetophenazine is combined with Benzodiazepine. Aclidinium Benzodiazepine may increase the central nervous system depressant (CNS depressant) activities of Aclidinium. Agomelatine The risk or severity of adverse effects can be increased when Agomelatine is combined with Benzodiazepine. Alfentanil The risk or severity of adverse effects can be increased when Alfentanil is combined with Benzodiazepine. Alimemazine The risk or severity of adverse effects can be increased when Alimemazine is combined with Benzodiazepine. Almotriptan The risk or severity of adverse effects can be increased when Almotriptan is combined with Benzodiazepine. Alosetron The risk or severity of adverse effects can be increased when Alosetron is combined with Benzodiazepine. Alprazolam The risk or severity of adverse effects can be increased when Alprazolam is combined with Benzodiazepine. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodiazepines
- Sub Class
- Not Available
- Direct Parent
- Benzodiazepines
- Alternative Parents
- Benzenoids / Hydrazones / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzodiazepine / Hydrazone / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- M0Q7802G2B
- CAS number
- 12794-10-4
- InChI Key
- SVUOLADPCWQTTE-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
- IUPAC Name
- 1H-1,2-benzodiazepine
- SMILES
- N1N=CC=CC2=CC=CC=C12
References
- General References
- Not Available
- External Links
- PubChem Compound
- 134664
- PubChem Substance
- 347828763
- ChemSpider
- 118687
- ChEMBL
- CHEMBL4297264
- Wikipedia
- Benzodiazepine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Not Available Disorders of Gallbladder, Biliary Tract and Pancrease 1 4 Completed Treatment Acute Disease / Psychomotor Agitation 1 4 Completed Treatment Adverse Effects 1 4 Completed Treatment Caudal epidural block therapy / Forearm Injuries / Orthopedic Procedures / Traumas / Upper Extremity 1 4 Completed Treatment Generalized Anxiety Disorder (GAD) / Panic Disorder / Post Traumatic Stress Disorder (PTSD) / Social Anxiety Disorder (SAD) 1 4 Completed Treatment Opiate withdrawal symptoms 1 4 Withdrawn Prevention C.Surgical Procedure; Cardiac / Delirium 1 3 Completed Treatment Anxiety Disorders 1 3 Unknown Status Prevention Insomnia 1 2 Not Yet Recruiting Treatment Substance Use Disorders (SUD) 1
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 1.02 mg/mL ALOGPS logP 2.9 ALOGPS logP 2.12 ChemAxon logS -2.2 ALOGPS pKa (Strongest Acidic) 5.55 ChemAxon pKa (Strongest Basic) 16.87 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 2 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 24.39 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 47.81 m3·mol-1 ChemAxon Polarizability 15.19 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein group
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Positive allosteric modulator
- Curator comments
- The GABA(A) receptor is pentameric (i.e. comprising 5 subunit proteins) and therefore has a multitude of potential isoforms. The above target is a collection of all possible GABA(A) subunits that may participate in the formation of the pentameric receptor and is not meant to imply direct a drug-protein interaction for each individual subunit.
- General Function
- Inhibitory extracellular ligand-gated ion channel activity
- Specific Function
- Component of the heteropentameric receptor for GABA, the major inhibitory neurotransmitter in the vertebrate brain. Functions also as histamine receptor and mediates cellular responses to histamine...
Components:
References
- Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4. [PubMed:23038269]
- Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27. [PubMed:29950725]
- Kind
- Protein group
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Ligand
- Curator comments
- Benzodiazepines modulate GABA(A) function by binding at the interface between alpha (α) and gamma (γ) subunits. Of the 6 α-subunits, only 4 (α-1, -2, -3, and -5) participate in the formation of this binding site. The above target is a collection of all α- and γ-subunits that are known to participate in the formation of the benzodiazepine binding site.
- General Function
- Inhibitory extracellular ligand-gated ion channel activity
- Specific Function
- Component of the heteropentameric receptor for GABA, the major inhibitory neurotransmitter in the vertebrate brain. Functions also as histamine receptor and mediates cellular responses to histamine...
Components:
References
- Sigel E, Steinmann ME: Structure, function, and modulation of GABA(A) receptors. J Biol Chem. 2012 Nov 23;287(48):40224-31. doi: 10.1074/jbc.R112.386664. Epub 2012 Oct 4. [PubMed:23038269]
- Zhu S, Noviello CM, Teng J, Walsh RM Jr, Kim JJ, Hibbs RE: Structure of a human synaptic GABAA receptor. Nature. 2018 Jul;559(7712):67-72. doi: 10.1038/s41586-018-0255-3. Epub 2018 Jun 27. [PubMed:29950725]
Enzymes
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Substrate
- General Function
- Vitamin d3 25-hydroxylase activity
- Specific Function
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
- Gene Name
- CYP3A4
- Uniprot ID
- P08684
- Uniprot Name
- Cytochrome P450 3A4
- Molecular Weight
- 57342.67 Da
References
- Rendic S: Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448. [PubMed:11996015]
Drug created on October 20, 2016 22:45 / Updated on June 12, 2020 16:53