This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Aprocitentan
- DrugBank Accession Number
- DB15059
- Background
Aprocitentan is under investigation in clinical trial NCT03541174 (A Research Study to Show the Effect of Aprocitentan in the Treatment of Difficult to Control (Resistant) High Blood Pressure (Hypertension) and Find Out More About Its Safety).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Aprocitentan (DB15059)
- Weight
- Average: 546.19
Monoisotopic: 543.9164 - Chemical Formula
- C16H14Br2N6O4S
- Synonyms
- ACT-132577
- Aprocitentan
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith 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 on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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 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/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
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MZI81HV01P
- CAS number
- 1103522-45-7
- InChI Key
- DKULOVKANLVDEA-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)
- IUPAC Name
- N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]aminosulfonamide
- SMILES
- NS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 25027753
- BindingDB
- 50395672
- ChEBI
- 76609
- ChEMBL
- CHEMBL2165326
- ZINC
- ZINC000095553608
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Resistant Hypertension 1 3 Withdrawn Treatment Hypertension / Renal Insufficiency,Chronic 1 2 Completed Treatment Hypertension, Essential Hypertension 1 1 Completed Other Healthy Subjects (HS) 7 1 Completed Other Healthy Subjects (HS) / Hepatic Impairment 1 1 Completed Other Healthy Subjects (HS) / Severe Renal Impairment 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
Property Value Source Water Solubility 0.014 mg/mL ALOGPS logP 2.85 ALOGPS logP 2.58 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 7.79 Chemaxon pKa (Strongest Basic) 3.26 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 142.21 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 112.81 m3·mol-1 Chemaxon Polarizability 44.36 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 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
- Not Available
Drug created at May 20, 2019 14:46 / Updated at February 21, 2021 18:55