This drug entry is astuband 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
-
Structure for Clazosentan (DB06677)
- 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.
Reduce drug development failure ratesBuild, train, & validate machine-learning models
with evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets. - Contraindications & Blackbox Warnings
-
Avoid life-threatening adverse drug eventsImprove clinical decision support with information oncontraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support. - Pharmacodynamics
-
Not Available
- Mechanism of action
-
Target Actions Organism UEndothelin-1 receptor Not Available Humans - 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 outcomesWith structured adverse effects data, including:blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data. - Toxicity
-
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
-
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
-
Drug product information from 10+ global regionsOur datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions. - Product Ingredients
-
Ingredient UNII CAS InChI Key Clazosentan Sodium 0L77PK62L1 503271-02-1 PZNSONUYVNYXJZ-UHFFFAOYSA-N - International/Other Brands
- Pivlaz
Categories
- Drug Categories
- Chemical TaxonomyProvided byClassyfire
-
- 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/甲基吡啶s/Alkyl aryl ethers/Imidolactams/Organosulfonamides/Aminosulfonyl compounds show 7 more
- Substituents
- Alcohol/Alkyl aryl ether/Aminosulfonyl compound/Anisole/芳香heteromonocyclic化合物/Azacycle/Azole/Benzenoid/Diaryl ether/Ether show 23 more
- Molecular Framework
- 芳香heteromonocyclic化合物s
- 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
- 一般引用
- Not Available
- External Links
-
- ChemSpider
- 4938283
- BindingDB
- 50066370
- ChEMBL
- CHEMBL109648
- ZINC
- ZINC000003939238
Clinical Trials
- Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
-
Phase Status Purpose Conditions Count 3 Active Not Recruiting Prevention Aneurysmal Subarachnoid Hemorrhages (aSAH) 1 3 Completed Treatment Aneurysmal Subarachnoid Hemorrhages (aSAH) 1 3 Terminated Treatment Aneurysmal Subarachnoid Hemorrhages (aSAH) 1 2 Completed Prevention Aneurysmal Subarachnoid Hemorrhages (aSAH) 1 2 Completed Treatment Aneurysmal Subarachnoid Hemorrhages (aSAH) 1 1 Completed Other Healthy 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
-
Property Value Source Water Solubility 0.0428 mg/mL ALOGPS logP 2.03 ALOGPS logP 2.83 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 3.53 Chemaxon pKa (Strongest Basic) 2.11 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 200.11 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 169.08 m3·mol-1 Chemaxon Polarizability 56.12 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
-
Spectrum Spectrum Type Splash Key 预测MS / MSSpectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available 预测MS / MSSpectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available 预测MS / MSSpectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available 预测MS / MSSpectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available 预测MS / MSSpectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available 预测MS / MSSpectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets tounlock new
insights and accelerate drug research.
insights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- 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
- 分子量
- 48721.76 Da
References
- 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