PF-04620110
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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-04620110
- DrugBank Accession Number
- DB14887
- Background
PF-04620110 is under investigation in clinical trial NCT01146327 (A Multiple Dose Study Of PF-04620110 In Healthy Overweight Or Obese Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 396.447
Monoisotopic: 396.179755269 - Chemical Formula
- C21H24N4O4
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CQ4M18RLJW
- CAS number
- 1109276-89-2
- InChI Key
- GEVVQZHMFVFGLN-HDJSIYSDSA-N
- InChI
- InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-
- IUPAC Name
- 2-[(1r,4r)-4-(4-{4-amino-5-oxo-5H,6H,7H,8H-pyrimido[5,4-f][1,4]oxazepin-6-yl}phenyl)cyclohexyl]acetic acid
- SMILES
- NC1=NC=NC2=C1C(=O)N(CCO2)C1=CC=C(C=C1)[C@H]1CC[C@H](CC(O)=O)CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 26636682
- BindingDB
- 50355142
- ChEMBL
- CHEMBL1835919
- ZINC
- ZINC000116139756
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Healthy Volunteers (HV) 3 1 Completed Treatment Healthy Volunteers (HV) / Obesity / Overweight 1 1 Completed Treatment Overweight 1 1 Completed Treatment Type 2 Diabetes Patients 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 0.159 mg/mL ALOGPS logP 2.14 ALOGPS logP 2.48 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 5.03 Chemaxon pKa (Strongest Basic) 4.41 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 118.64 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 108.2 m3·mol-1 Chemaxon Polarizability 41.87 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 No 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 splash10-0002-0009000000-f3ca4b121a9002916fba Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-9b79121c4762778defb0 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fr2-0009000000-f7f0f34b20bf86fa5c56 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0uxs-0009000000-5525ff89f4756111b9f4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0kai-0239000000-02532f338c4148139525 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00l5-1459000000-30317e909a4334cd3373 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 14:33 / Updated at June 12, 2020 16:53