PF-04991532

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

Identification

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Name
PF-04991532
Accession Number
DB11765
Type
Small Molecule
Groups
Investigational
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.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
AJ212MS2O2
CAS number
1215197-37-7
Weight
Average: 396.3637
Monoisotopic: 396.140925109
Chemical Formula
C18H19F3N4O3
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-1-hydroxy-2-[4-(trifluoromethyl)-1H-imidazol-1-yl]propylidene]amino}pyridine-3-carboxylic acid
SMILES
[H][C@@](CC1CCCC1)(N1C=NC(=C1)C(F)(F)F)C(O)=NC1=NC=C(C=C1)C(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
46181428
PubChem Substance
347828119
ChemSpider
28641839
BindingDB
50394681
ChEMBL
CHEMBL2165620
HET
0H6
PDB Entries
3vf6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableDiabetes Mellitus (DM) / 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
2CompletedTreatmentType 2 Diabetes Mellitus2

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 Solubility0.00949 mg/mLALOGPS
logP2.95ALOGPS
logP3.49ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.49ChemAxon
pKa (Strongest Basic)4.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area100.6 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity95.61 m3·mol-1ChemAxon
Polarizability37.22 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

Taxonomy

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
Pyridine carboxylic acid / Imidazolyl carboxylic acid derivative / N-arylamide / Fatty amide / Fatty acyl / Imidolactam / N-substituted imidazole / Azole / Imidazole / Heteroaromatic compound
show 17 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:46 / Updated on June 04, 2019 07:26