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

Identification

Generic Name
Clazosentan
DrugBank Accession Number
DB06677
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 577.58
Monoisotopic: 577.149200671
Chemical Formula
C25H23N9O6S
Synonyms
  • Clazosentan
External IDs
  • AXV-034343
  • AXV-343434
  • RO 61-1790
  • RO-61-1790
  • VML-588

Pharmacology

Indication

Investigated for use/treatment in strokes.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UEndothelin-1 receptorNot AvailableHumans
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Clazosentan Sodium0L77PK62L1503271-02-1PZNSONUYVNYXJZ-UHFFFAOYSA-N
International/Other Brands
Pivlaz

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Diarylethers / Pyridinesulfonamides / Anisoles / Methoxybenzenes / Phenoxy compounds / Methylpyridines / Alkyl aryl ethers / Imidolactams / Organosulfonamides / Aminosulfonyl compounds
show 7 more
Substituents
Alcohol / Alkyl aryl ether / Aminosulfonyl compound / Anisole / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid / Diaryl ether / Ether
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3DRR0X4728
CAS number
180384-56-9
InChI Key
LFWCJABOXHSRGC-UHFFFAOYSA-N
InChI
InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)
IUPAC Name
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1H-1,2,3,4-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide
SMILES
COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1

References

General References
Not Available
ChemSpider
4938283
BindingDB
50066370
ChEMBL
CHEMBL109648
ZINC
ZINC000003939238

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingPreventionAneurysmal Subarachnoid Hemorrhages (aSAH)1
3CompletedTreatmentAneurysmal Subarachnoid Hemorrhages (aSAH)1
3TerminatedTreatmentAneurysmal Subarachnoid Hemorrhages (aSAH)1
2CompletedPreventionAneurysmal Subarachnoid Hemorrhages (aSAH)1
2CompletedTreatmentAneurysmal Subarachnoid Hemorrhages (aSAH)1
1CompletedOtherHealthy Subjects (HS)2

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0428 mg/mLALOGPS
logP2.03ALOGPS
logP2.83ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)3.53ChemAxon
pKa (Strongest Basic)2.11ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area200.11 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity169.08 m3·mol-1ChemAxon
Polarizability56.12 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
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

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Phosphatidylinositol phospholipase c activity
Specific Function
Receptor for endothelin-1. Mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of binding affinities for ET-A is:...
Gene Name
EDNRA
Uniprot ID
P25101
Uniprot Name
Endothelin-1 receptor
Molecular Weight
48721.76 Da
References
  1. Motte S, McEntee K, Naeije R: Endothelin receptor antagonists. Pharmacol Ther. 2006 Jun;110(3):386-414. Epub 2005 Oct 10. [Article]

Drug created at March 19, 2008 16:47 / Updated at February 21, 2021 18:52