NAV

Tarazepide

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

Identification

Generic Name
Tarazepide
DrugBank Accession Number
DB06435
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 448.526
Monoisotopic: 448.189926029
Chemical Formula
C28H24N4O2
Synonyms
  • Tarazepide
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Pharmacology

Indication

Investigated for use/treatment in gastrointestinal diseases and disorders (miscellaneous).

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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Indolecarboxamides and derivatives / 1,4-benzodiazepines / Indoles / Pyrrole carboxamides / 2-heteroaryl carboxamides / Substituted pyrroles / Benzene and substituted derivatives / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides
show 7 more
Substituents
1,4-benzodiazepine / 2-heteroaryl carboxamide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzodiazepine / Carbonyl group / Carboxamide group / Heteroaromatic compound / Hydrocarbon derivative
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
RK2972YZ2U
CAS number
141374-81-4
InChI Key
CZPILLBHPRAPCB-AREMUKBSSA-N
InChI
InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1
IUPAC Name
N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-2,4,6,8(12)-tetraene-2-carboxamide
SMILES
CN1C2=CC=CC=C2C(=N[C@H](NC(=O)C2=CC3=CC=CC4=C3N2CCC4)C1=O)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
8519100
ChEMBL
CHEMBL1742455
ZINC
ZINC000002015955

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
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00486 mg/mLALOGPS
logP4.06ALOGPS
logP4.48Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)15.75Chemaxon
pKa (Strongest Basic)0.96Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area66.7 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity131.75 m3·mol-1Chemaxon
Polarizability49.83 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0002-0000900000-b58b4bd1552955577e31
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000e-0090300000-7a763b049cd76340b94f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0020900000-9ff8aaeb1bc6fc70ec65
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0190100000-25857862280823442e8b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-0952700000-b7a91a59d0f498aa2810
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0k9l-1690000000-bcb1960b5106a130b16d
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]-199.32372
predicted
DeepCCS 1.0 (2019)
[M+H]+201.71927
predicted
DeepCCS 1.0 (2019)
[M+Na]+207.63179
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:33 / Updated at February 21, 2021 18:52