PF-03382792
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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
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 71451950
- PubChem Substance
- 347829092
- ChemSpider
- 28664271
- BindingDB
- 50398588
- ChEMBL
- CHEMBL2179582
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Terminated Not Available Healthy Volunteers (HV) 1 1 Withdrawn Other Healthy 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
Property Value Source Water Solubility 0.0618 mg/mL ALOGPS logP 1.88 ALOGPS logP 1.52 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 14.23 Chemaxon pKa (Strongest Basic) 9.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.11 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 115.16 m3·mol-1 Chemaxon Polarizability 46.47 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-8aaf079958569abfb2e7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0100900000-58a5da2f9af8fc60b592 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0159-0103900000-b5247b4a798b3b311670 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001l-1132900000-8926f2424ed76c4b3301 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0935100000-2c531af64073c2c21820 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-3914400000-feff16fa51ad08a1ac5f Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 201.41173 predictedDeepCCS 1.0 (2019) [M+H]+ 203.76974 predictedDeepCCS 1.0 (2019) [M+Na]+ 210.75465 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:32 / Updated at June 12, 2020 16:53