NAV

Iomazenil

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

Identification

Generic Name
Iomazenil
DrugBank Accession Number
DB14971
Background

Iomazenil is under investigation in clinical trial NCT01590277 (Ability of Partial Inverse Agonist, Iomazenil, to Block Ethanol Effects in Humans).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 411.199
Monoisotopic: 411.00799
Chemical Formula
C15H14IN3O3
Synonyms
Not Available
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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 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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7DVX185FLQ
CAS number
127985-21-1
InChI Key
FRIZVHMAECRUBR-UHFFFAOYSA-N
InChI
InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-11-7-18(2)14(20)12-9(16)5-4-6-10(12)19(11)8-17-13/h4-6,8H,3,7H2,1-2H3
IUPAC Name
ethyl 11-iodo-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
SMILES
CCOC(=O)C1=C2CN(C)C(=O)C3=C(I)C=CC=C3N2C=N1

References

General References
Not Available
ChemSpider
8426528
ChEMBL
CHEMBL2110679
ZINC
ZINC000000537863
Wikipedia
Iomazenil

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1Active Not RecruitingBasic ScienceActive Ethanol and Active Iomazenil / Alcohol Effect / Alcohol Impairment / Driving Under the Influence / Placebo Ethanol and Active Iomazenil / Placebo Ethanol and Placebo Iomazenil1
1CompletedOtherCognitive Dysfunctions1
0CompletedBasic SciencePsychiatric Disorder NOS / Psychosis / Schizophrenia1

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 Solubility0.274 mg/mLALOGPS
logP1.68ALOGPS
logP2.18Chemaxon
logS-3.2ALOGPS
pKa (Strongest Basic)2.86Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area64.43 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.07 m3·mol-1Chemaxon
Polarizability35.1 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-03di-0000900000-2e5f40e9f8c0e74cf72f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03e9-0009700000-8355a56a0ac8823642ab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0005900000-fa47d390712f1c343430
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01t9-0309100000-74fdd107e0ec172525d8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ko-1029000000-0f3c12b4e1dd586fed35
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-002k-0559000000-ddeb5cd1bf9d6ca11abc
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]-184.4438
predicted
DeepCCS 1.0 (2019)
[M+H]+186.8018
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.35316
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:38 / Updated at June 12, 2020 16:53