NAV

PF-232798

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

Identification

Generic Name
PF-232798
DrugBank Accession Number
DB14813
Background

PF-232798 is under investigation in clinical trial NCT01140425 (Study To Evaluate The Effect Of A Multiple Oral Dose Of PF-00232798 On QT Intervals In Healthy Subjects).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 509.67
Monoisotopic: 509.316603711
Chemical Formula
C29H40FN5O2
Synonyms
  • PF-00232798
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Pharmacology

Indication

Not Available

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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
63P7W7886U
CAS number
849753-15-7
InChI Key
QETUKYDWZIRTEI-QUMGSSFMSA-N
InChI
InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25+,26-/m0/s1
IUPAC Name
N-[(1S)-1-(3-fluorophenyl)-3-[(1R,3S,5S)-3-[2-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide
SMILES
CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)C1=CC=CC(F)=C1

References

General References
Not Available
ChemSpider
26391334
BindingDB
50334964
ChEMBL
CHEMBL1649931

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
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 Solubility0.04 mg/mLALOGPS
logP3.86ALOGPS
logP1.99Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)15.11Chemaxon
pKa (Strongest Basic)9.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area70.47 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity142.23 m3·mol-1Chemaxon
Polarizability57.45 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-03di-0100390000-c22624b58d55144d06aa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-05n1-2000910000-90dd5770e82bc532769e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-066r-0131910000-177d15aa252c9843057e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9000320000-86d423417593ac72b0fe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0c00-0923520000-f5da4228b6b6b5544bc4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-006y-3156910000-6bf17b603bf34da4ba36
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:28 / Updated at June 12, 2020 16:53