This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Verucerfont
- DrugBank Accession Number
- DB12512
- Background
Verucerfont has been used in trials studying the treatment of Congenital Adrenal Hyperplasia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Verucerfont (DB12512)
- Weight
- Average: 406.49
Monoisotopic: 406.211724101 - Chemical Formula
- C22H26N6O2
- Synonyms
- Verucerfont
- External IDs
- GSK-561,679
- GSK-561679
- GSK-561679A
- GSK561679A
- NBI-77860
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Pyrazoles
- Direct Parent
- Phenylpyrazoles
- Alternative Parents
- Pyrazolo[1,5-a]pyrimidines / Phenoxy compounds / Methoxybenzenes / Anisoles / Toluenes / Aminopyrimidines and derivatives / Alkyl aryl ethers / Heteroaromatic compounds / 1,2,4-oxadiazoles / Oxacyclic compounds show 3 more
- Substituents
- 1,2,4-oxadiazole / Alkyl aryl ether / Amine / Aminopyrimidine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Ether / Heteroaromatic compound show 16 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X60608B091
- CAS number
- 885220-61-1
- InChI Key
- VKHVAUKFLBBZFJ-SFHVURJKSA-N
- InChI
- InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1
- IUPAC Name
- 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
- SMILES
- CC[C@H](NC1=CC(C)=NC2=C(C(C)=NN12)C1=CC=C(OC)C=C1C)C1=NC(C)=NO1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11596613
- PubChem Substance
- 347828743
- ChemSpider
- 9771373
- BindingDB
- 50417503
- ChEMBL
- CHEMBL1287935
- ZINC
- ZINC000034661169
- Wikipedia
- Verucerfont
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Post Traumatic Stress Disorder (PTSD) 1 2 Completed Treatment Alcohol Dependency 1 2 Completed Treatment Major Depressive Disorder (MDD) 1 2 Completed Treatment Post Traumatic Stress Disorder (PTSD) 1 2 Withdrawn Treatment Irritable Bowel Syndrome (IBS) 1 1 Completed Diagnostic Depressive Disorder and Anxiety Disorders 1 1 Completed Diagnostic Healthy Subjects (HS) 1 1 Completed Treatment Social Phobia 1 1 Withdrawn Treatment Congenital Adrenal Hyperplasia (CAH) 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 0.0614 mg/mL ALOGPS logP 5.05 ALOGPS logP 3.88 Chemaxon logS -3.8 ALOGPS pKa (Strongest Basic) 2.84 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.37 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 127.24 m3·mol-1 Chemaxon Polarizability 45.29 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:40 / Updated at February 21, 2021 18:53