NAV

Bentazepam

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

Identification

Generic Name
Bentazepam
DrugBank Accession Number
DB14719
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 296.39
Monoisotopic: 296.098334317
Chemical Formula
C17H16N2OS
Synonyms
  • Bentazepam
  • Bentazepamum
  • Thiadipone
  • Tiadipone
External IDs
  • CI-718
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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
TargetActionsOrganism
AGABA(A) Receptor
positive allosteric modulator
Humans
AGABA(A) Receptor Benzodiazepine Binding Site
ligand
Humans
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Bentazepam.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Bentazepam.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Bentazepam.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Bentazepam.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Bentazepam.
Food Interactions
Not Available

Categories

ATC Codes
N05BA24 — Bentazepam
Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
66JKK43S1Z
CAS number
29462-18-8
InChI Key
AIZFEOPQVZBNGH-UHFFFAOYSA-N
InChI
InChI=1S/C17H16N2OS/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14/h1-3,6-7H,4-5,8-10H2,(H,19,20)
IUPAC Name
14-phenyl-8-thia-10,13-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),13-trien-11-one
SMILES
O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1

References

General References
Not Available
KEGG Drug
D03083
ChemSpider
11248641
BindingDB
70137
ChEBI
135252
ChEMBL
CHEMBL1521495
ZINC
ZINC000005850754
Wikipedia
Bentazepam

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility0.00557 mg/mLALOGPS
logP3.84ALOGPS
logP4.14Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)10.36Chemaxon
pKa (Strongest Basic)3.25Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area41.46 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity85.58 m3·mol-1Chemaxon
Polarizability31.98 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-0002-0090000000-24b74414f86cdc927f3b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-4f593f3e286115cc8a04
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-76606327a021c542651d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1090000000-3309c6d911429e13737b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-1390000000-28d0912b41b71d78a19d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-2970000000-5f0bc9ebafd7004d65ff
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. GABA(A) Receptor (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Yes
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:
NameUniProt ID
Gamma-aminobutyric acid receptor subunit alpha-1P14867
Gamma-aminobutyric acid receptor subunit alpha-2P47869
Gamma-aminobutyric acid receptor subunit alpha-3P34903
Gamma-aminobutyric acid receptor subunit alpha-4P48169
Gamma-aminobutyric acid receptor subunit alpha-5P31644
Gamma-aminobutyric acid receptor subunit alpha-6Q16445
Gamma-aminobutyric acid receptor subunit beta-1P18505
Gamma-aminobutyric acid receptor subunit beta-2P47870
Gamma-aminobutyric acid receptor subunit beta-3P28472
Gamma-aminobutyric acid receptor subunit deltaO14764
Gamma-aminobutyric acid receptor subunit epsilonP78334
Gamma-aminobutyric acid receptor subunit gamma-1Q8N1C3
Gamma-aminobutyric acid receptor subunit gamma-2P18507
Gamma-aminobutyric acid receptor subunit gamma-3Q99928
Gamma-aminobutyric acid receptor subunit piO00591
Gamma-aminobutyric acid receptor subunit thetaQ9UN88
References
  1. 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. [Article]
  2. 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. [Article]
Details2. GABA(A) Receptor Benzodiazepine Binding Site (Protein Group)
Kind
Protein group
Organism
Humans
Pharmacological action
Yes
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:
NameUniProt ID
Gamma-aminobutyric acid receptor subunit alpha-1P14867
Gamma-aminobutyric acid receptor subunit alpha-2P47869
Gamma-aminobutyric acid receptor subunit alpha-3P34903
Gamma-aminobutyric acid receptor subunit alpha-5P31644
Gamma-aminobutyric acid receptor subunit gamma-1Q8N1C3
Gamma-aminobutyric acid receptor subunit gamma-2P18507
Gamma-aminobutyric acid receptor subunit gamma-3Q99928
References
  1. 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. [Article]
  2. 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. [Article]

Drug created at November 04, 2018 11:46 / Updated at February 21, 2021 18:54