PF-06459988
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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-06459988
- DrugBank Accession Number
- DB14768
- Background
PF-06459988 is under investigation in clinical trial NCT02297425 (A Study For Patients With EGFRm (Epidermal Growth Factor Receptor Mutant) Lung Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 431.88
Monoisotopic: 431.1472653 - Chemical Formula
- C19H22ClN7O3
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5IE92SK9EB
- CAS number
- 1428774-45-1
- InChI Key
- ODMXWZROLKITMS-RISCZKNCSA-N
- InChI
- InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
- IUPAC Name
- 1-[(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
- SMILES
- CO[C@H]1CN(C[C@@H]1COC1=C2C(Cl)=CNC2=NC(NC2=CN(C)N=C2)=N1)C(=O)C=C
References
- General References
- Not Available
- External Links
- ChemSpider
- 49070958
- BindingDB
- 50159360
- ChEMBL
- CHEMBL3786098
- ZINC
- ZINC000204947687
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Withdrawn Basic Science Advanced EGFRm (Del 19 or L858R +/- T790M) NSCLC 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 0.177 mg/mL ALOGPS logP 2.38 ALOGPS logP 2 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 10.26 Chemaxon pKa (Strongest Basic) 3.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.19 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 122.92 m3·mol-1 Chemaxon Polarizability 44.34 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 splash10-001r-2701900000-f200c00deceb8c35e402 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-5036900000-7fe7855c8b04f5e40c3c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03fs-0309200000-a5cae4403ce6d5c4871f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03e9-2019100000-509e3a17ac8052ba806e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ik9-0329100000-5ff735a3876630db52f0 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9001100000-ecdca78839bf5df2407a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:26 / Updated at June 12, 2020 16:53