PF-03382792

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

Identification

Generic Name
PF-03382792
DrugBank Accession Number
DB12949
Background

Pf 03382792 is under investigation in clinical trial NCT01045863 (To Evaluate Safety, Tolerability, Plasma Drug Levels And Other Biological Effects In Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 433.524
Monoisotopic: 433.237684685
Chemical Formula
C23H32FN3O4
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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 indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolecarboxylic acids and derivatives
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
N-acyl ureas / Aryl fluorides / Benzenoids / Oxanes / Piperidines / Dicarboximides / Tertiary alcohols / Trialkylamines / Amino acids and derivatives / 1,2-aminoalcohols
show 8 more
Substituents
1,2-aminoalcohol / Alcohol / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbonic acid derivative
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QPE81T4KH0
CAS number
1400811-63-3
InChI Key
AGMOFKKOVMRGAK-UHFFFAOYSA-N
InChI
InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
IUPAC Name
6-fluoro-N-({1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl}methyl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-1-carboxamide
SMILES
CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)C2=CC(F)=CC=C12

References

General References
Not Available
PubChem Compound
71451950
PubChem Substance
347829092
ChemSpider
28664271
BindingDB
50398588
ChEMBL
CHEMBL2179582

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedNot AvailableHealthy Volunteers (HV)1
1WithdrawnOtherHealthy 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 Solubility0.0618 mg/mLALOGPS
logP1.88ALOGPS
logP1.52Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.23Chemaxon
pKa (Strongest Basic)9.62Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area82.11 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity115.16 m3·mol-1Chemaxon
Polarizability46.47 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-001i-0000900000-8aaf079958569abfb2e7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0100900000-58a5da2f9af8fc60b592
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0159-0103900000-b5247b4a798b3b311670
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-1132900000-8926f2424ed76c4b3301
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0935100000-2c531af64073c2c21820
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-3914400000-feff16fa51ad08a1ac5f
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-201.41173
predicted
DeepCCS 1.0 (2019)
[M+H]+203.76974
predicted
DeepCCS 1.0 (2019)
[M+Na]+210.75465
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:32 / Updated at June 12, 2020 16:53