NAV

PF-06291874

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

Identification

Generic Name
PF-06291874
DrugBank Accession Number
DB15065
Background

PF-06291874 is under investigation in clinical trial NCT02175121 (Safety, Tolerability, Pharmacokinetics And Pharmacodynamics Study of PF-06291874 as Oral Monotherapy To Treat Adults With Type 2 Diabetes Mellitus).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 503.522
Monoisotopic: 503.203190883
Chemical Formula
C26H28F3N3O4
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
CGY4I8F278
CAS number
1393124-08-7
InChI Key
IBDYYOQKQCCSDP-QFIPXVFZSA-N
InChI
InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
IUPAC Name
3-({4-[(1S)-1-{3,5-dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl]phenyl}formamido)propanoic acid
SMILES
CCC[C@H](OC1=CC(C)=C(N2C=C(C=N2)C(F)(F)F)C(C)=C1)C1=CC=C(C=C1)C(=O)NCCC(O)=O

References

General References
Not Available
ChemSpider
30815271
BindingDB
50433577
ChEMBL
CHEMBL2381848
ZINC
ZINC000096269688

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentType 2 Diabetes Mellitus2
1CompletedBasic ScienceHealthy Volunteers (HV)1
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 Solubility0.00204 mg/mLALOGPS
logP4.89ALOGPS
logP5.7Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)3.89Chemaxon
pKa (Strongest Basic)0.68Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area93.45 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity129.85 m3·mol-1Chemaxon
Polarizability50.83 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0pca-0790100000-70473ce34ef811564574
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0nni-0290520000-5ccc8b8c65f259e87692
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-4491400000-467b1f64cc96315b08db
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0090100000-bc543fe29bd8b25f2154
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1391210000-c9e3d434335356c49ea7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-059i-2792010000-83ee6da57e0887869c30
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:46 / Updated at June 12, 2020 16:53