NAV

TBA-7371

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

Identification

Generic Name
TBA-7371
DrugBank Accession Number
DB16243
Background

TBA-7371 is under investigation in clinical trial NCT04176250 (Early Bactericidal Activity of TBA-7371 in Pulmonary Tuberculosis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 355.398
Monoisotopic: 355.164439556
Chemical Formula
C18H21N5O3
Synonyms
Not Available
External IDs
  • AZ-7371
  • TBA-7371
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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
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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
R3T98GBE3C
CAS number
1494675-86-3
InChI Key
VDRYGTNDKXIPSK-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
IUPAC Name
N-(2-hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILES
COC1=C(C)C(CN2C=C(C(=O)NCCO)C3=NC=C(C)C=C23)=NC=N1

References

General References
Not Available
ChemSpider
31132722
BindingDB
50019654
ChEMBL
CHEMBL3109802
ZINC
ZINC000103248024

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPulmonary Tuberculosis (TB)1
1CompletedTreatmentPulmonary Tuberculosis (TB) / Tuberculosis (TB)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
PropertyValueSource
Water Solubility0.229 mg/mLALOGPS
logP0.75ALOGPS
logP1.19Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)14.42Chemaxon
pKa (Strongest Basic)3.94Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area102.16 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity97.39 m3·mol-1Chemaxon
Polarizability37.43 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0a4i-0029000000-c24ad13ec2d4cec430f5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ot-0094000000-1ce41e4fc2b30427fccc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0096000000-25cb941aba18a2e11fd7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-f4088aa2a99d34144d03
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0972000000-2f5323cf29ef49e275d4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6t-0980000000-1e50296d3b48c00d09c8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:39