NAV

Senicapoc

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

Identification

Generic Name
Senicapoc
DrugBank Accession Number
DB06280
Background

Senicapoc (ICA-17043) is a novel Gardos channel blocker.1 It is being investigated for the treatment of sickle cell disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 323.343
Monoisotopic: 323.112170433
Chemical Formula
C20H15F2NO
Synonyms
  • 2,2-Bis(4-fluorophenyl)-2-phenylacetamide
  • Bis(4-fluorophenyl)phenylacetamide
  • Senicapoc
External IDs
  • ICA-17043
  • PF-05416266
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Pharmacology

Indication

Investigated for use/treatment in anemia (sickle cell) and asthma.

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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 triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Triphenyl compounds
Sub Class
Not Available
Direct Parent
Triphenyl compounds
Alternative Parents
Phenylacetamides / Fluorobenzenes / Aryl fluorides / Primary carboxylic acid amides / Organopnictogen compounds / Organonitrogen compounds / Organofluorides / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aromatic homomonocyclic compound / Aryl fluoride / Aryl halide / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Fluorobenzene / Halobenzene / Hydrocarbon derivative / Monocyclic benzene moiety
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
TS6G201A6Q
CAS number
289656-45-7
InChI Key
SCTZUZTYRMOMKT-UHFFFAOYSA-N
InChI
InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
IUPAC Name
2,2-bis(4-fluorophenyl)-2-phenylacetamide
SMILES
NC(=O)C(C1=CC=CC=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1

References

General References
  1. Stocker JW, De Franceschi L, McNaughton-Smith GA, Corrocher R, Beuzard Y, Brugnara C: ICA-17043, a novel Gardos channel blocker, prevents sickled red blood cell dehydration in vitro and in vivo in SAD mice. Blood. 2003 Mar 15;101(6):2412-8. doi: 10.1182/blood-2002-05-1433. Epub 2002 Nov 14. [Article]
Human Metabolome Database
HMDB0258233
ChemSpider
187516
BindingDB
50371391
ChEMBL
CHEMBL405821
ZINC
ZINC000003816408
Wikipedia
Senicapoc

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentSickle Cell Anemia / Sickle Cell Disease (SCD)1
3TerminatedTreatmentSickle Cell Disease (SCD)1
2CompletedTreatmentAsthma, Allergic1
2CompletedTreatmentExercised Induced Asthma1
2CompletedTreatmentSickle Cell Anemia / Sickle Cell Disease (SCD)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000975 mg/mLALOGPS
logP3.59ALOGPS
logP4.46Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)15.27Chemaxon
pKa (Strongest Basic)-4.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area43.09 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity89.76 m3·mol-1Chemaxon
Polarizability31.85 Å3Chemaxon
Number of Rings3Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-005c-5091000000-937691a83ee41b3bafcc
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00c0-0094000000-8ef127b41bba206f66ad
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-2090000000-65d81df55cb3cf047132
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0059000000-a2bcf3a215f53ad5576b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002f-9050000000-2ab71f2481b3f90d6317
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-9a141b5abab37412f0a8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004r-0691000000-1964e2e76fc8388a8218
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]-180.3557
predicted
DeepCCS 1.0 (2019)
[M+H]+182.79597
predicted
DeepCCS 1.0 (2019)
[M+Na]+189.95714
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:20 / Updated at May 19, 2023 23:20