PF-05105679
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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-05105679
- DrugBank Accession Number
- DB15450
- Background
PF-05105679 is under investigation in clinical trial NCT01393652 (Single Dose, Dose Escalation Healthy Volunteers Study Of PF-05105679).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 428.463
Monoisotopic: 428.153620707 - Chemical Formula
- C26H21FN2O3
- 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
- F2B10OFV7Y
- CAS number
- 1398583-31-7
- InChI Key
- BXNMZRPTQFVRFA-QGZVFWFLSA-N
- InChI
- InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
- IUPAC Name
- 3-({N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(quinolin-3-yl)formamido}methyl)benzoic acid
- SMILES
- C[C@@H](N(CC1=CC(=CC=C1)C(O)=O)C(=O)C1=CC2=C(C=CC=C2)N=C1)C1=CC=C(F)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 57871141
- BindingDB
- 50089245
- ChEMBL
- CHEMBL3577885
- ZINC
- ZINC000149966028
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Healthy Volunteers (HV) 1 0 Completed Basic Science Pain 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 0.00099 mg/mL ALOGPS logP 4.18 ALOGPS logP 4.77 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 4.07 Chemaxon pKa (Strongest Basic) 2.97 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 70.5 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 119.97 m3·mol-1 Chemaxon Polarizability 43.74 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 splash10-0a4i-0902200000-d929598e39324d106704 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-056r-0121900000-6a08ad21caeb4226ea9f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0kor-1900100000-29f5f308fa34ebf8d1bc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0392000000-6e89832cb66794046a2c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-5900000000-563a151d84e8902f5694 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-056r-1960000000-233bd5e9e54d630cfb0b 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 15:33 / Updated at June 12, 2020 16:53