Lixivaptan
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Lixivaptan
- DrugBank Accession Number
- DB06666
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 473.93
Monoisotopic: 473.1306328 - Chemical Formula
- C27H21ClFN3O2
- Synonyms
- Lixivaptan
- External IDs
- CRTX 080
- CRTX-080
- VPA 985
- VPA-985
- WAY-VPA-985
Pharmacology
- Indication
Investigated for use/treatment in hyponatremia and congestive heart failure.
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AHistidine decarboxylase inhibitorHumans AVasopressin V2 receptor antagonistHumans - 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. View sample adverse effects data in our new Data Library!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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Benzanilides
- Alternative Parents
- 1,4-benzodiazepines / 2-halobenzoic acids and derivatives / 3-halobenzoic acids and derivatives / o-Toluamides / Benzamides / Benzoyl derivatives / Fluorobenzenes / Chlorobenzenes / Aryl chlorides / Aryl fluorides show 13 more
- Substituents
- 1,4-benzodiazepine / 2-halobenzoic acid or derivatives / 3-halobenzoic acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Benzamide / Benzanilide show 28 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8F5X4B082E
- CAS number
- 168079-32-1
- InChI Key
- PPHTXRNHTVLQED-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
- IUPAC Name
- N-(3-chloro-4-{3,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),4,6,11,13-pentaene-9-carbonyl}phenyl)-5-fluoro-2-methylbenzamide
- SMILES
- CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)N2CC3=CC=CN3CC3=C2C=CC=C3)C(Cl)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 151067
- BindingDB
- 50065115
- ChEMBL
- CHEMBL49429
- ZINC
- ZINC000000600399
- Wikipedia
- Lixivaptan
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available No Longer Available Not Available Kidney, Polycystic 1 somestatus stop reason just information to hide 3 Completed Treatment Euvolemic Hyponatremia 1 somestatus stop reason just information to hide 3 Completed Treatment Hyponatremia 1 somestatus stop reason just information to hide 3 Completed Treatment Hyponatremia With Normal Extracellular Fluid Volume 1 somestatus stop reason just information to hide 3 Terminated Treatment Autosomal Dominant Polycystic Kidney Disease (ADPKD) 1 somestatus stop reason just information to hide
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 0.000467 mg/mL ALOGPS logP 4.99 ALOGPS logP 5.98 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 12.37 Chemaxon pKa (Strongest Basic) -3.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.34 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 133 m3·mol-1 Chemaxon Polarizability 49.25 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0002900000-4af4dbdc14de329efa08 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-b2943432e1dc228549e6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-4f7a827c4eeea0f77a6a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0314900000-88e65ea960dc1d1b8ecc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4v-8900100000-72220bd6eafa59d7ee3e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0059-1910100000-cfcb73868908ebea778f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 211.9725 predictedDeepCCS 1.0 (2019) [M+H]+ 214.3681 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.28062 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsHistidine decarboxylase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the biosynthesis of histamine from histidine
- Specific Function
- histidine decarboxylase activity
- Gene Name
- HDC
- Uniprot ID
- P19113
- Uniprot Name
- Histidine decarboxylase
- Molecular Weight
- 74139.825 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
2. DetailsVasopressin V2 receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Antagonist
- General Function
- Receptor for arginine vasopressin. The activity of this receptor is mediated by G proteins which activate adenylate cyclase. Involved in renal water reabsorption
- Specific Function
- peptide binding
- Gene Name
- AVPR2
- Uniprot ID
- P30518
- Uniprot Name
- Vasopressin V2 receptor
- Molecular Weight
- 40278.57 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at March 19, 2008 16:46 / Updated at August 27, 2024 19:14