NAV

PF-03463275

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
Similar Structures
Weight
Average: 376.86
Monoisotopic: 376.1466172
Chemical Formula
C19H22ClFN4O
Synonyms
Not Available
External IDs
  • PF 03463275
  • PF-03463275
  • PF03463275
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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
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
PubChem Compound
44156901
PubChem Substance
347828313
ChemSpider
24627664
BindingDB
50293564
ChEMBL
CHEMBL563251
ZINC
ZINC000101270900

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCognitive Impairment Associated With Schizophrenia (CIAS)1
2TerminatedTreatmentSchizophrenia1
1CompletedTreatmentHealthy 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
PropertyValueSource
Water Solubility0.352 mg/mLALOGPS
logP2.08ALOGPS
logP2.1Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)9.04Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area41.37 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity100.25 m3·mol-1Chemaxon
Polarizability38.83 Å3Chemaxon
Number of Rings4Chemaxon
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 MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-bfeaae618fffad756f7f
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0309000000-6c8a83dfec9c11cfafd9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05r0-0589000000-275e8e339d6fe02ad2d3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0309000000-a8324675813aa81c4ac1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9685000000-3af0d74f196d87b38fce
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-4922000000-5c99f26aa87acf82afc5
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]-186.80496
predicted
DeepCCS 1.0 (2019)
[M+H]+189.18321
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.25612
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:08 / Updated at June 12, 2020 16:53