This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PF-03715455
- DrugBank Accession Number
- DB12138
- Background
PF-03715455 has been used in trials studying the treatment of Asthma, Pulmonary Disease, Chronic Obstructive, and Chronic Obstructive Pulmonary Disease (COPD).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PF-03715455 (DB12138)
- Weight
- Average: 700.273
Monoisotopic: 699.185307076 - Chemical Formula
- C35H34ClN7O3S2
- Synonyms
- Not Available
- External IDs
- PF-03715455
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Pyrazoles
- Direct Parent
- Phenylpyrazoles
- Alternative Parents
- Diarylthioethers / Phenyl-1,2,4-triazoles / Triazolopyridines / Thiophenol ethers / O-chlorophenols / 1-hydroxy-2-unsubstituted benzenoids / Alkylarylthioethers / Chlorobenzenes / Aryl chlorides / Pyridines and derivatives show 10 more
- Substituents
- 1,2,4-triazole / 1-hydroxy-2-unsubstituted benzenoid / 2-chlorophenol / 2-halophenol / Alcohol / Alkylarylthioether / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl thioether show 29 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0TJ631J0KP
- CAS number
- 1056164-52-3
- InChI Key
- VGEXRDWWPSGZDH-UHFFFAOYSA-N
- InChI
- InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
- IUPAC Name
- 3-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-1-({2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl}methyl)urea
- SMILES
- CC(C)(C)C1=NN(C(NC(=O)NCC2=CC=CC=C2SC2=CN3C(C=C2)=NN=C3C2=CC=CC=C2SCCO)=C1)C1=CC=C(O)C(Cl)=C1
References
- General References
- Not Available
- External Links
- PDB Entries
- 2yis
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Terminated Treatment Asthma 1 2 Terminated Treatment Chronic Obstructive Pulmonary Disease (COPD) 1 1 Completed Not Available Chronic Obstructive Pulmonary Disease (COPD) 1 1 Completed Not Available Healthy Subjects (HS) 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 logP 6.95 Chemaxon pKa (Strongest Acidic) 8.46 Chemaxon pKa (Strongest Basic) 2.14 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 129.6 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 208.94 m3·mol-1 Chemaxon Polarizability 72.53 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 239.3785 predictedDeepCCS 1.0 (2019) [M+H]+ 241.20338 predictedDeepCCS 1.0 (2019) [M+Na]+ 246.87619 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:26 / Updated at June 12, 2020 16:53