ABT-072

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

Identification

Generic Name
ABT-072
DrugBank Accession Number
DB15156
Background

ABT-072 is under investigation in clinical trial NCT00890318 (A Study in Healthy Adult Subjects to Evaluate the Safety, Tolerability, and Pharmacokinetic Profiles of Multiple Doses of ABT-072 Used to Treat Hepatitis C).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 469.56
Monoisotopic: 469.167142155
Chemical Formula
C24H27N3O5S
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
PSQ4R5K1QI
CAS number
1132936-00-5
InChI Key
XMZSTQYSBYEENY-RMKNXTFCSA-N
InChI
InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+
IUPAC Name
N-{4-[(1E)-2-[3-tert-butyl-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl}methanesulfonamide
SMILES
COC1=C(\C=C\C2=CC=C(NS(C)(=O)=O)C=C2)C=C(C=C1C(C)(C)C)N1C=CC(=O)NC1=O

References

General References
Not Available
ChemSpider
57389603
ChEMBL
CHEMBL4076467
ZINC
ZINC000113918524

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedNot AvailableHepatitis C Virus Infection1
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection / Hepatitis C Genotype 1 / Hepatitis C Viral Infection / Hepatitis C Virus (HCV) Infection2
1CompletedNot AvailableHepatitis C Viral Infection3
1CompletedNot AvailableHepatitis C Virus (HCV) Infection1
1CompletedTreatmentHepatitis C Viral Infection1

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 Solubility0.00104 mg/mLALOGPS
logP4.02ALOGPS
logP3.13ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)9.15ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area104.81 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity127.91 m3·mol-1ChemAxon
Polarizability50.64 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
Not Available

Drug created on May 20, 2019 14:54 / Updated on June 12, 2020 16:53