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
- VTP-27999
- DrugBank Accession Number
- DB12416
- Background
VTP-27999 has been used in trials studying the basic science of Renal Function.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for VTP-27999 (DB12416)
- Weight
- Average: 525.081
Monoisotopic: 524.276548149 - Chemical Formula
- C26H41ClN4O5
- Synonyms
- Not Available
- External IDs
- VTP 27999
- VTP-27999
- VTP27999
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ARenin inhibitorHumans - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAzilsartan medoxomil The risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Azilsartan medoxomil. Candesartan cilexetil The risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Candesartan cilexetil. Eprosartan The risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Eprosartan. Irbesartan The risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Irbesartan. Losartan The risk or severity of renal failure, hypotension, and hyperkalemia can be increased when VTP-27999 is combined with Losartan. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Piperidinecarboxylic acids and derivatives
- Direct Parent
- Piperidinecarboxamides
- Alternative Parents
- Benzylethers / Chlorobenzenes / Oxanes / Aryl chlorides / Methylcarbamates / Ureas / Oxacyclic compounds / Dialkylamines / Dialkyl ethers / Azacyclic compounds show 5 more
- Substituents
- 1-piperidinecarboxamide / Amine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Benzylether / Carbamic acid ester / Carbonyl group show 21 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 254XY8NV84
- CAS number
- 942142-51-0
- InChI Key
- NXWASIVXQMMPLM-ZXMXYHOLSA-N
- InChI
- InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1
- IUPAC Name
- methyl N-{2-[(R)-(3-chlorophenyl)[(3R)-1-{[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl}piperidin-3-yl]methoxy]ethyl}carbamate
- SMILES
- [H][C@]1(CCCN(C1)C(=O)NC[C@H](C[C@H]1CCCOC1)NC)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16126898
- PubChem Substance
- 347828660
- ChemSpider
- 17283747
- BindingDB
- 50382334
- ChEMBL
- CHEMBL1276678
- ZINC
- ZINC000035328520
- PDBe Ligand
- RX5
- PDB Entries
- 3q4b
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 data1 Completed Basic Science Renal Function 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
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0223 mg/mL ALOGPS logP 2.47 ALOGPS logP 2.36 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 14.25 Chemaxon pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.16 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 139.42 m3·mol-1 Chemaxon Polarizability 57.77 Å3 Chemaxon Number of Rings 3 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.66982 predictedDeepCCS 1.0 (2019) [M+H]+ 214.53448 predictedDeepCCS 1.0 (2019) [M+Na]+ 220.1523 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights 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
- Yes
- Actions
- Inhibitor
- General Function
- Renin is a highly specific endopeptidase, whose only known function is to generate angiotensin I from angiotensinogen in the plasma, initiating a cascade of reactions that produce an elevation of blood pressure and increased sodium retention by the kidney
- Specific Function
- aspartic-type endopeptidase activity
- Gene Name
- REN
- Uniprot ID
- P00797
- Uniprot Name
- Renin
- Molecular Weight
- 45057.125 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 October 20, 2016 22:18 / Updated at August 26, 2024 19:22