NAV

Verdiperstat

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

Identification

Generic Name
Verdiperstat
DrugBank Accession Number
DB12440
Background

Verdiperstat has been used in trials studying the basic science and treatment of Multiple System Atrophy (MSA).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 253.32
Monoisotopic: 253.088497909
Chemical Formula
C11H15N3O2S
Synonyms
  • Verdiperstat
External IDs
  • AZD3241
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Sub Class
Not Available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Pyrimidones / Pyrimidinethiones / 2-Thiopyrimidines / Vinylogous amides / Pyrroles / Heteroaromatic compounds / Thioureas / Lactams / Dialkyl ethers / Azacyclic compounds
show 3 more
Substituents
2-thiopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Lactam / Organic nitrogen compound / Organic oxide
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TT3345YXVR
CAS number
890655-80-8
InChI Key
FVJCUZCRPIMVLB-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)
IUPAC Name
1-[2-(propan-2-yloxy)ethyl]-2-sulfanylidene-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILES
CC(C)OCCN1C2=C(NC=C2)C(=O)NC1=S

References

General References
Not Available
PubChem Compound
11528958
PubChem Substance
347828681
ChemSpider
9703742
PDBe Ligand
W4Y
PDB Entries
5rs7

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMultiple System Atrophy (MSA)1
2CompletedBasic ScienceParkinson's Disease (PD)1
2CompletedTreatmentMultiple System Atrophy (MSA)1
2CompletedTreatmentParkinson's Disease (PD)1
2, 3CompletedTreatmentAmyotrophic Lateral Sclerosis (ALS)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 Solubility0.283 mg/mLALOGPS
logP1.26ALOGPS
logP1.23Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)11.39Chemaxon
pKa (Strongest Basic)-4.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area57.36 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity69.73 m3·mol-1Chemaxon
Polarizability26.44 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9410000000-60e525e581bdb08dec00
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0090000000-554e3fe17a9984517c27
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1970000000-b605f5d0c492a16f1ff7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xu-0970000000-3a4f29bd1615714a423b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fr6-0910000000-c2d38a2c9b5f255b08ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-7940000000-f83053fafd574e2ee9d1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-8900000000-84586620e7391b566b06
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]-149.84047
predicted
DeepCCS 1.0 (2019)
[M+H]+152.19847
predicted
DeepCCS 1.0 (2019)
[M+Na]+159.72105
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:24 / Updated at February 21, 2021 18:53