PF-03463275
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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
- PF-03463275
- DrugBank Accession Number
- DB11993
- Background
PF-03463275 has been used in trials studying the treatment of Schizophrenia and Cognitive Impairments Associated With Schizophrenia.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 376.86
Monoisotopic: 376.1466172 - Chemical Formula
- C19H22ClFN4O
- Synonyms
- Not Available
- External IDs
- PF 03463275
- PF-03463275
- PF03463275
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Carboxylic acid derivatives
- Direct Parent
- 2-heteroaryl carboxamides
- Alternative Parents
- Carbonylimidazoles / Chlorobenzenes / Fluorobenzenes / Aryl chlorides / Aryl fluorides / N-alkylpyrrolidines / N-substituted imidazoles / Piperidines / Heteroaromatic compounds / Tertiary carboxylic acid amides show 9 more
- Substituents
- 2-heteroaryl carboxamide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3U6T9EE6UX
- CAS number
- 1173239-39-8
- InChI Key
- KYLOBHXXQOZRKK-FICVDOATSA-N
- InChI
- InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15+
- IUPAC Name
- N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-N-{[(1R,5S,6S)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl}-1H-imidazole-4-carboxamide
- SMILES
- [H][C@@]12CN(C)C[C@]1([H])[C@H]2CN(CC1=CC(Cl)=C(F)C=C1)C(=O)C1=CN(C)C=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44156901
- PubChem Substance
- 347828313
- ChemSpider
- 24627664
- BindingDB
- 50293564
- ChEMBL
- CHEMBL563251
- ZINC
- ZINC000101270900
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cognitive Impairment Associated With Schizophrenia (CIAS) 1 2 Terminated Treatment Schizophrenia 1 1 Completed Treatment Healthy Volunteers (HV) 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
Property Value Source Water Solubility 0.352 mg/mL ALOGPS logP 2.08 ALOGPS logP 2.1 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 41.37 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 100.25 m3·mol-1 Chemaxon Polarizability 38.83 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 No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0019000000-bfeaae618fffad756f7f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0309000000-6c8a83dfec9c11cfafd9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-05r0-0589000000-275e8e339d6fe02ad2d3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0309000000-a8324675813aa81c4ac1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9685000000-3af0d74f196d87b38fce Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-4922000000-5c99f26aa87acf82afc5 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]- 186.80496 predictedDeepCCS 1.0 (2019) [M+H]+ 189.18321 predictedDeepCCS 1.0 (2019) [M+Na]+ 195.25612 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:08 / Updated at June 12, 2020 16:53