NAV

Apinocaltamide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Apinocaltamide
DrugBank Accession Number
DB16241
Background

Apinocaltamide is under investigation in clinical trial NCT03239691 (A Study to Evaluate the Effect of ACT-709478 in Photosensitive Epilepsy Patients).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 425.415
Monoisotopic: 425.146344709
Chemical Formula
C22H18F3N5O
Synonyms
  • Benzeneacetamide, N-[1-[(5-cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]-
  • N-(1-((5-CYANOPYRIDIN-2-YL)METHYL)-1H-PYRAZOL-3-YL)-2-(4-(1-(TRIFLUOROMETHYL)CYCLOPROPYL)-PHENYL)ACETAMIDE
  • N-[1-(5-Cyano-pyridin-2-ylmethyl)-1H-pyrazol-3-yl]-2-[4-(1-trifluoromethyl-cyclopropyl-phenyl]-acetamide
  • N-[1-[(5-Cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]benzeneacetamide
  • N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2- {4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide
External IDs
  • ACT-709478
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Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
3Z7U1U8Z9E
CAS number
1838651-58-3
InChI Key
LSYANGLAZUZYFX-UHFFFAOYSA-N
InChI
InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
IUPAC Name
N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2-{4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide
SMILES
FC(F)(F)C1(CC1)C1=CC=C(CC(=O)NC2=NN(CC3=NC=C(C=C3)C#N)C=C2)C=C1

References

General References
Not Available
ChemSpider
72379969
BindingDB
50452245
ChEBI
194340
ChEMBL
CHEMBL4217292

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedOtherPhotosensitive Epilepsy1
1CompletedOtherHealthy Volunteers (HV)2

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 Solubility0.00936 mg/mLALOGPS
logP3.5ALOGPS
logP3.96Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)11.3Chemaxon
pKa (Strongest Basic)1.25Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area83.6 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity120.31 m3·mol-1Chemaxon
Polarizability40.27 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-004i-0200900000-cffb897f2b3a6ef9c200
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-0011900000-0319be1ed4dce3df457b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-016r-1900800000-38af95941245ad18659b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-0443900000-1f6ec367072f4ca369e6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-016r-0930200000-e60942dfc274c559ba21
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zgi-2952500000-8a804e751837b0bd9847
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at September 17, 2023 04:15