PF-04991532

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

Identification

Name
PF-04991532
Accession Number
DB11765
Description

PF-04991532 has been used in trials studying the basic science of Diabetes Mellitus, Type 2 Diabetes Mellitus, Diabetes Mellitus, Type 2, and Glucose Metabolism Disorders.

Type
Small Molecule
Groups
Investigational
Purchasing individual compounds or compound libraries for your research?
Learn More
Structure
Thumb
Weight
Average: 396.3637
Monoisotopic: 396.140925109
Chemical Formula
C18H19F3N4O3
Synonyms
Not Available
External IDs
  • PF 04991532
  • PF-04991532

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
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
Learn about our commercial Adverse Effects data.
Learn More
Toxicity
Not Available
Affected organisms
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 pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Pyridinecarboxylic acids and derivatives
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
N-arylamides / Imidazolyl carboxylic acids and derivatives / N-substituted imidazoles / Imidolactams / Fatty amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Carboxylic acids / Azacyclic compounds / Organofluorides
show 4 more
Substituents
Alkyl fluoride / Alkyl halide / Aromatic heteromonocyclic compound / Azacycle / Azole / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Fatty acyl
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
AJ212MS2O2
CAS number
1215197-37-7
InChI Key
GKMLFBRLRVQVJO-ZDUSSCGKSA-N
InChI
InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
IUPAC Name
6-[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propanamido]pyridine-3-carboxylic acid
SMILES
OC(=O)C1=CC=C(NC(=O)[[email protected]](CC2CCCC2)N2C=NC(=C2)C(F)(F)F)N=C1

References

General References
Not Available
PubChem Compound
46181428
PubChem Substance
347828119
ChemSpider
28641839
BindingDB
50394681
ChEMBL
CHEMBL2165620
ZINC
ZINC000068250431
PDBe Ligand
0H6
PDB Entries
3vf6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentType 2 Diabetes Mellitus2
1CompletedNot AvailableDiabetes Mellitus / Glucose Metabolism Disorders / Type 2 Diabetes Mellitus3
1CompletedBasic ScienceDrug Drug Interaction (DDI) / Healthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedBasic ScienceHealthy Volunteers / Type 2 Diabetes Mellitus1
1CompletedBasic ScienceType 2 Diabetes Mellitus1

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 Solubility0.0133 mg/mLALOGPS
logP3.08ALOGPS
logP2.84ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.59ChemAxon
pKa (Strongest Basic)4.21ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area97.11 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity94.85 m3·mol-1ChemAxon
Polarizability36.57 Å3ChemAxon
Number of Rings3ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 14:46 / Updated on June 12, 2020 10:53

Ddi 3