HIV Integrase Inhibitor

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

Identification

Name
HIV Integrase Inhibitor
Accession Number
DB16114
Description

HIV Integrase Inhibitor is under investigation in clinical trial NCT00397566 (A Multiple Ascending Dose Study of BMS-707035 in HIV-1 Infected Subjects).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 410.42
Monoisotopic: 410.106019065
Chemical Formula
C17H19FN4O5S
Synonyms
  • BMS 707035
External IDs
  • BMS 707035
  • BMS-707035

Pharmacology

Pharmacology
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Indication
Not Available
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
Affected organisms
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

Chemical Identifiers

UNII
7PR4P7YOKT
CAS number
729607-74-3
InChI Key
VNIWZCGZPBJWBI-UHFFFAOYSA-N
InChI
InChI=1S/C17H19FN4O5S/c1-21-16(25)14(23)13(15(24)19-10-11-4-6-12(18)7-5-11)20-17(21)22-8-2-3-9-28(22,26)27/h4-7,23H,2-3,8-10H2,1H3,(H,19,24)
IUPAC Name
2-(1,1-dioxo-1lambda6,2-thiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
SMILES
CN1C(=O)C(O)=C(N=C1N1CCCCS1(=O)=O)C(=O)NCC1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
10639881
ChEMBL
CHEMBL486226
ZINC
ZINC000003842433

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2WithdrawnTreatmentHuman Immunodeficiency Virus (HIV) Infections1

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 Solubility0.0413 mg/mLALOGPS
logP1.13ALOGPS
logP0.31ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)7.03ChemAxon
pKa (Strongest Basic)-2.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area119.38 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity99.47 m3·mol-1ChemAxon
Polarizability38.55 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
Not Available

Drug created on December 15, 2020 18:12 / Updated on December 20, 2020 03:37