NAV

Camicinal

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

Identification

Generic Name
Camicinal
DrugBank Accession Number
DB12567
Background

Camicinal has been used in trials studying the treatment of Gastroparesis.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 424.564
Monoisotopic: 424.263839862
Chemical Formula
C25H33FN4O
Synonyms
  • Camicinal
External IDs
  • GSK-962040
  • GSK962040
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylacetamides
Direct Parent
Phenylacetamides
Alternative Parents
N-acylpiperidines / Phenylmethylamines / Phenylalkylamines / Aniline and substituted anilines / Benzylamines / Secondary alkylarylamines / Aminopiperidines / N-alkylpiperazines / Fluorobenzenes / Aryl fluorides
show 9 more
Substituents
1,4-diazinane / 4-aminopiperidine / Amine / Amino acid or derivatives / Aniline or substituted anilines / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3C8348951H
CAS number
923565-21-3
InChI Key
RZKDEGZIFSJVNA-IBGZPJMESA-N
InChI
InChI=1S/C25H33FN4O/c1-19-17-29(14-11-27-19)18-21-7-5-20(6-8-21)15-25(31)30-12-9-23(10-13-30)28-24-4-2-3-22(26)16-24/h2-8,16,19,23,27-28H,9-15,17-18H2,1H3/t19-/m0/s1
IUPAC Name
1-{4-[(3-fluorophenyl)amino]piperidin-1-yl}-2-(4-{[(3S)-3-methylpiperazin-1-yl]methyl}phenyl)ethan-1-one
SMILES
C[C@H]1CN(CC2=CC=C(CC(=O)N3CCC(CC3)NC3=CC=CC(F)=C3)C=C2)CCN1

References

General References
Not Available
PubChem Compound
15984937
PubChem Substance
347828790
ChemSpider
13116304
BindingDB
50292978
ChEMBL
CHEMBL489095
ZINC
ZINC000034850365
Wikipedia
Camicinal

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedNot AvailableGastroparesis1
2CompletedTreatmentGastroparesis4
2TerminatedTreatmentGastroparesis1
1CompletedTreatmentGastrointestinal Motility1
1CompletedTreatmentGastroparesis3

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 Solubility0.0226 mg/mLALOGPS
logP3.37ALOGPS
logP2.5Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)9.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area47.61 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity124.63 m3·mol-1Chemaxon
Polarizability47.32 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-0001900000-2ee89d185aa170eb72f7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0000900000-04cf04924815bc19b9a4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0318900000-a567161bd874abcda9c1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-3329800000-47b74f013b06d91e2dc3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03fr-1879400000-21266a8979ad111ca470
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dj-2549300000-24d2e0b51d203778ccc1
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]-205.07802
predicted
DeepCCS 1.0 (2019)
[M+H]+207.43604
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.71532
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:55 / Updated at February 21, 2021 18:53