Fostemsavir

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

Identification

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Name
Fostemsavir
Accession Number
DB11796
Type
Small Molecule
Groups
Investigational
Description

Fostemsavir has been investigated for the basic science of Hepatic Impairment.

Structure
Thumb
Synonyms
Not Available
External IDs
BMS-663068
Product Ingredients
IngredientUNIICASInChI Key
Fostemsavir tromethamine2X513P36U0864953-39-9RRGJSMBMTOKHTE-UHFFFAOYSA-N
Active Moieties
NameKindUNIICASInChI Key
Temsavirprodrug4B6J53W8N3701213-36-7QRPZBKAMSFHVRW-UHFFFAOYSA-N
Categories
UNII
97IQ273H4L
CAS number
864953-29-7
Weight
Average: 583.498
Monoisotopic: 583.158047823
Chemical Formula
C25H26N7O8P
InChI Key
SWMDAPWAQQTBOG-UHFFFAOYSA-N
InChI
InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)
IUPAC Name
({3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methoxy)phosphonic acid
SMILES
COC1=C2C(=CN(COP(O)(O)=O)C2=C(N=C1)N1C=NC(C)=N1)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
11319217
PubChem Substance
347828145
ChemSpider
9494181
ChEMBL
CHEMBL3301594
Wikipedia
Fostemsavir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHepatic Impairment1
1CompletedBasic ScienceHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
1CompletedHealth Services ResearchHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
1CompletedOtherHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)3
1CompletedOtherHuman Immunodeficiency Virus (HIV) / Human Immunodeficiency Virus (HIV) Infections2
1CompletedTreatmentDrug-drug Interaction Study / Human Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentESRD (End-Stage Renal Disease) / Human Immunodeficiency Virus (HIV) / Human Immunodeficiency Virus (HIV) Infections / Impaired Renal Function1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) / Human Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentHuman Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)1
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Type 1 (HIV-1)1
3Active Not RecruitingTreatmentHuman Immunodeficiency Virus (HIV) Infections / Human Immunodeficiency Virus Infection(HIV)/Acquired Immunodeficiency Syndrome (AIDS)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 Solubility0.431 mg/mLALOGPS
logP0.64ALOGPS
logP-0.18ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)1.25ChemAxon
pKa (Strongest Basic)1.87ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area182.21 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity145.6 m3·mol-1ChemAxon
Polarizability56.79 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridyltriazoles
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Benzamides / Pyrrolopyridines / Aryl ketones / Benzoyl derivatives / Alkyl aryl ethers / Monoalkyl phosphates / Substituted pyrroles / Piperazines / Triazoles / Heteroaromatic compounds
show 6 more
Substituents
Pyridyl-1,2,4-triazole / Benzamide / Benzoic acid or derivatives / Pyrrolopyridine / Benzoyl / Aryl ketone / Alkyl aryl ether / Monoalkyl phosphate / Monocyclic benzene moiety / 1,4-diazinane
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:48 / Updated on June 04, 2019 07:27