Camicinal
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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
- Weight
- Average: 424.564
Monoisotopic: 424.263839862 - Chemical Formula
- C25H33FN4O
- Synonyms
- Camicinal
- External IDs
- GSK-962040
- GSK962040
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!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
- 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
- External Links
- PubChem Compound
- 15984937
- PubChem Substance
- 347828790
- ChemSpider
- 13116304
- BindingDB
- 50292978
- ChEMBL
- CHEMBL489095
- ZINC
- ZINC000034850365
- Wikipedia
- Camicinal
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Not Available Gastroparesis 1 2 Completed Treatment Gastroparesis 4 2 Terminated Treatment Gastroparesis 1 1 Completed Treatment Gastrointestinal Motility 1 1 Completed Treatment Gastroparesis 3
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 0.0226 mg/mL ALOGPS logP 3.37 ALOGPS logP 2.5 Chemaxon logS -4.3 ALOGPS pKa (Strongest Basic) 9.35 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 47.61 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 124.63 m3·mol-1 Chemaxon Polarizability 47.32 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 Yes 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 splash10-004i-0001900000-2ee89d185aa170eb72f7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-04cf04924815bc19b9a4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0318900000-a567161bd874abcda9c1 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0fk9-3329800000-47b74f013b06d91e2dc3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03fr-1879400000-21266a8979ad111ca470 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00dj-2549300000-24d2e0b51d203778ccc1 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.07802 predictedDeepCCS 1.0 (2019) [M+H]+ 207.43604 predictedDeepCCS 1.0 (2019) [M+Na]+ 213.71532 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:55 / Updated at February 21, 2021 18:53