NAV

PF-05180999

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

Identification

Generic Name
PF-05180999
DrugBank Accession Number
DB14885
Background

PF-05180999 is under investigation in clinical trial NCT01530529 (A Study to Assess the Relative Bioavailability of a Modified-Release Formulation of PF-05180999).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 414.396
Monoisotopic: 414.152827068
Chemical Formula
C19H17F3N8
Synonyms
Not Available
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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 dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylarylamines
Alternative Parents
Pyridines and derivatives / N-substituted imidazoles / Imidolactams / 1,2,4-triazines / Pyrazoles / Heteroaromatic compounds / Azetidines / Azacyclic compounds / Organofluorides / Hydrocarbon derivatives
show 2 more
Substituents
1,2,4-triazine / Alkyl fluoride / Alkyl halide / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Azole / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative
show 10 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5L84K4IEN9
CAS number
1394033-54-5
InChI Key
CLGCHUKGBICQTE-UHFFFAOYSA-N
InChI
InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
IUPAC Name
2-{4-[4-(azetidin-1-yl)-7-methylimidazo[4,3-f][1,2,4]triazin-5-yl]-1-methyl-1H-pyrazol-5-yl}-5-(trifluoromethyl)pyridine
SMILES
CN1N=CC(C2=C3N(N=CN=C3N3CCC3)C(C)=N2)=C1C1=NC=C(C=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
31136251
BindingDB
107767
ChEMBL
CHEMBL3092562
ZINC
ZINC000103257178

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedBasic ScienceSchizophrenia1
1TerminatedBasic ScienceMigraine1
1WithdrawnBasic ScienceMigraine1

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 Solubility0.0178 mg/mLALOGPS
logP2.88ALOGPS
logP2.39Chemaxon
logS-4.4ALOGPS
pKa (Strongest Basic)2.89Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area77.03 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity127.2 m3·mol-1Chemaxon
Polarizability39.14 Å3Chemaxon
Number of Rings5Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-6196574f4a2bdbaab393
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0002900000-1f2a03c354bbeff0ae31
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0002900000-858b3b0a10eabfaa6c0b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0002900000-35f4cba470d589bee03c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aea-0039000000-6ebca3d43f6749908104
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fl9-0139000000-3d106c59efeffa12f7d5
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:32 / Updated at June 12, 2020 16:53