PF-06282999
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- PF-06282999
- DrugBank Accession Number
- DB11683
- Background
Pf 06282999 is under investigation in clinical trial NCT01626976 (A Study To Assess The Safety, Tolerability And Pharmacokinetics Of PF-06282999 Administered Orally In Healthy Adult Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 325.77
Monoisotopic: 325.0287901 - Chemical Formula
- C13H12ClN3O3S
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazines
- Sub Class
- Pyrimidines and pyrimidine derivatives
- Direct Parent
- Phenylpyrimidines
- Alternative Parents
- Phenoxy compounds / Anisoles / Methoxybenzenes / 2-Thiopyrimidines / Pyrimidones / Pyrimidinethiones / Alkyl aryl ethers / Chlorobenzenes / Aryl chlorides / Hydropyrimidines show 11 more
- Substituents
- 2-thiopyrimidine / 4-phenylpyrimidine / Alkyl aryl ether / Anisole / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonyl group show 27 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- YO3O4Q2NC8
- CAS number
- 1435467-37-0
- InChI Key
- ICYNYWFGIDGBRD-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H12ClN3O3S/c1-20-10-3-2-7(14)4-8(10)9-5-12(19)16-13(21)17(9)6-11(15)18/h2-5H,6H2,1H3,(H2,15,18)(H,16,19,21)
- IUPAC Name
- 2-[6-(5-chloro-2-methoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl]acetamide
- SMILES
- COC1=CC=C(Cl)C=C1C1=CC(=O)NC(=S)N1CC(N)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 71571306
- PubChem Substance
- 347828050
- ChemSpider
- 52085464
- BindingDB
- 50133595
- ChEMBL
- CHEMBL3633460
- ZINC
- ZINC000205775084
Clinical Trials
- Clinical Trials
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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 0.0182 mg/mL ALOGPS logP 1.82 ALOGPS logP 0.67 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 8.01 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.66 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 83.71 m3·mol-1 Chemaxon Polarizability 30.46 Å3 Chemaxon Number of Rings 2 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-001l-4192000000-58b4ea605258304fc458 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-97d2213cb680c1f4e4e1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-4059000000-fc1486853f49e4e88b9b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-056r-1019000000-0fd738474fa655f68ce9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9001000000-65b482123a8e37830458 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kf-0951000000-b29d766d9ed3f0ee1922 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9100000000-b735cfb771e95d715f2d 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]- 162.50575 predictedDeepCCS 1.0 (2019) [M+H]+ 164.86375 predictedDeepCCS 1.0 (2019) [M+Na]+ 171.13017 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:39 / Updated at June 12, 2020 16:53