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
- Orvepitant
- DrugBank Accession Number
- DB12427
- Background
Orvepitant has been used in trials studying the treatment of Depressive Disorder, Depressive Disorder, Major, Post-Traumatic Stress Disorder, and Posttraumatic Stress Disorder (PTSD).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Orvepitant (DB12427)
- Weight
- Average: 628.636
Monoisotopic: 628.264823524 - Chemical Formula
- C31H35F7N4O2
- Synonyms
- Orvepitant
- External IDs
- GW-823296X
- GW823296X
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 ASubstance-P 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Orvepitant is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Orvepitant is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Orvepitant. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Orvepitant. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Orvepitant. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Phenylpiperidines
- Direct Parent
- Phenylpiperidines
- Alternative Parents
- Trifluoromethylbenzenes / Piperidinecarboxamides / Aminopiperidines / Aralkylamines / Toluenes / Fluorobenzenes / N-alkylpiperazines / Aryl fluorides / Pyrrolidine-2-ones / N-alkylpyrrolidines show 12 more
- Substituents
- 1,4-diazinane / 1-piperidinecarboxamide / 2-pyrrolidone / 4-aminopiperidine / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound show 33 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IIU6V0W3JD
- CAS number
- 579475-18-6
- InChI Key
- XWNBGDJPEXZSQM-VZOBGQTKSA-N
- InChI
- InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1
- IUPAC Name
- (2R,4S)-4-[(8aS)-6-oxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
- SMILES
- C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN2[C@@H](CCC2=O)C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9852175
- PubChem Substance
- 347828670
- ChemSpider
- 8027888
- BindingDB
- 50442585
- ChEMBL
- CHEMBL2105667
- ZINC
- ZINC000056898864
- Wikipedia
- Orvepitant
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 data2 Completed Treatment Post Traumatic Stress Disorder (PTSD) 1 somestatus stop reason just information to hide 2 Terminated Treatment Depressive Disorder 1 somestatus stop reason just information to hide 2 Terminated Treatment Major Depressive Disorder (MDD) 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Atopic Dermatitis / Pruritus 1 somestatus stop reason just information to hide 1 Completed Other Healthy Volunteers (HV) 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 0.00439 mg/mL ALOGPS logP 4.65 ALOGPS logP 5.26 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 7.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 47.1 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 151.59 m3·mol-1 Chemaxon Polarizability 58.9 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 227.41283 predictedDeepCCS 1.0 (2019) [M+H]+ 229.30824 predictedDeepCCS 1.0 (2019) [M+Na]+ 234.95134 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
- Antagonist
- General Function
- This is a receptor for the tachykinin neuropeptide substance P. It is probably associated with G proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinity of this receptor to tachykinins is: substance P > substance K > neuromedin-K
- Specific Function
- substance P receptor activity
- Gene Name
- TACR1
- Uniprot ID
- P25103
- Uniprot Name
- Substance-P receptor
- Molecular Weight
- 46250.5 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 22:21 / Updated at August 27, 2024 19:15