PF-06273340
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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-06273340
- DrugBank Accession Number
- DB12269
- Background
Pf 06273340 is under investigation in clinical trial NCT01934738 (A Study to Evaluate Safety, Toleration and Time Course of Plasma Concentration of Multiple Oral Doses of PF-06273340 in Healthy Subjects of Two AgeGroups, Aged 18-55 Years (Group 1) and Aged 56-75 Years (Group 2)).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 479.93
Monoisotopic: 479.1472653 - Chemical Formula
- C23H22ClN7O3
- Synonyms
- Not Available
- External IDs
- PF06273340
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 pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyridinecarboxylic acids and derivatives
- Direct Parent
- Pyridinecarboxylic acids and derivatives
- Alternative Parents
- Pyrrolo[2,3-d]pyrimidines / Aryl ketones / N-arylamides / Aminopyrimidines and derivatives / Substituted pyrroles / Aryl chlorides / Vinylogous amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Amino acids and derivatives show 6 more
- Substituents
- Alcohol / Amine / Amino acid or derivatives / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Aryl ketone / Azacycle / Carbonyl group show 23 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- I136775ABW
- CAS number
- 1402438-74-7
- InChI Key
- BPIWZDNVMQQBQX-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)
- IUPAC Name
- N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide
- SMILES
- CC(C)(CO)N1C=C(C(=O)C2=CC(NC(=O)CC3=CC=C(Cl)C=N3)=CN=C2)C2=CN=C(N)N=C12
References
- General References
- Not Available
- External Links
- PubChem Compound
- 66571548
- PubChem Substance
- 347828540
- ChemSpider
- 48244961
- ZINC
- ZINC000203540977
- PDBe Ligand
- 6K4
- PDB Entries
- 5jfx
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Healthy Volunteers (HV) 2 1 Completed Treatment 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 0.0154 mg/mL ALOGPS logP 1.58 ALOGPS logP 1.68 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 12.34 Chemaxon pKa (Strongest Basic) 6.05 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 148.91 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 128.93 m3·mol-1 Chemaxon Polarizability 48.88 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 Yes 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-0100900000-901962adc71ed68e696e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00b9-0009200000-ec3c2a2e69c3b64cc96d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0102900000-d996b249e2fcd5b194a4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-009x-4189500000-60fb7e3fdfa74837d70b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ukc-1396400000-3b646f2dd49c45e9828e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-005c-9583300000-935f0bcf17bf2cd03c0c 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]- 210.01715 predictedDeepCCS 1.0 (2019) [M+H]+ 212.4127 predictedDeepCCS 1.0 (2019) [M+Na]+ 218.32526 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:47 / Updated at June 12, 2020 16:53