NAV

Verucerfont

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
3D
Similar Structures
Weight
Average: 406.49
Monoisotopic: 406.211724101
Chemical Formula
C22H26N6O2
Synonyms
  • Verucerfont
External IDs
  • GSK-561,679
  • GSK-561679
  • GSK-561679A
  • GSK561679A
  • NBI-77860
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
11596613
PubChem Substance
347828743
ChemSpider
9771373
BindingDB
50417503
ChEMBL
CHEMBL1287935
ZINC
ZINC000034661169
Wikipedia
Verucerfont

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedDiagnosticPost Traumatic Stress Disorder (PTSD)1
2CompletedTreatmentAlcohol Dependency1
2CompletedTreatmentMajor Depressive Disorder (MDD)1
2CompletedTreatmentPost Traumatic Stress Disorder (PTSD)1
2WithdrawnTreatmentIrritable Bowel Syndrome (IBS)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
PropertyValueSource
Water Solubility0.0614 mg/mLALOGPS
logP5.05ALOGPS
logP3.88Chemaxon
logS-3.8ALOGPS
pKa (Strongest Basic)2.84Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.37 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity127.24 m3·mol-1Chemaxon
Polarizability45.29 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000900000-b8b4662e64ff444dd713
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0019200000-36155278de2674024e6b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009600000-4bcc10fe415539d23eaf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052k-0029200000-cd7cb9113fd56193d5fc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f72-0019000000-60cb7ec29eb98b4c0858
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-015a-8396000000-2341e78ff37d2ce755ec
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.89937
predicted
DeepCCS 1.0 (2019)
[M+H]+196.29492
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.2448
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:40 / Updated at September 15, 2023 10:37