PF-05175157
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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-05175157
- DrugBank Accession Number
- DB12096
- Background
PF-05175157 has been used in trials studying the basic science and treatment of Acne Vulgaris, Diabetes Mellitus, Type 2 Diabetes Mellitus, Diabetes Mellitus Type 2, and Diabetes Mellitus, Type 2, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 405.502
Monoisotopic: 405.216475129 - Chemical Formula
- C23H27N5O2
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- N-acylpiperidines
- Direct Parent
- N-benzoylpiperidines
- Alternative Parents
- Benzimidazoles / Aryl alkyl ketones / Benzenoids / Tertiary carboxylic acid amides / Pyrazoles / Imidazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds show 2 more
- Substituents
- Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl ketone / Azacycle / Azole / Benzenoid / Benzimidazole / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- P826WR56FI
- CAS number
- 1301214-47-0
- InChI Key
- BDXXSFOJPYSYOC-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H27N5O2/c1-14(2)28-21-17(13-24-28)11-23(12-20(21)29)6-8-27(9-7-23)22(30)16-4-5-18-19(10-16)26-15(3)25-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,25,26)
- IUPAC Name
- 1'-(2-methyl-1H-1,3-benzodiazole-6-carbonyl)-1-(propan-2-yl)-1,4,6,7-tetrahydrospiro[indazole-5,4'-piperidine]-7-one
- SMILES
- CC(C)N1N=CC2=C1C(=O)CC1(CCN(CC1)C(=O)C1=CC=C3N=C(C)NC3=C1)C2
References
- General References
- Not Available
- External Links
- PubChem Compound
- 52934180
- PubChem Substance
- 347828400
- ChemSpider
- 52083240
- BindingDB
- 50034371
- ChEMBL
- CHEMBL3359265
- ZINC
- ZINC000117445039
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Basic Science Type 2 Diabetes Mellitus 3 2 Withdrawn Treatment Acne Vulgaris 1 1 Completed Basic Science Diabetes Mellitus / Metabolism Disorder, Glucose / Type 2 Diabetes Mellitus 1 1 Completed Basic Science Healthy Volunteers (HV) 2 1 Completed Basic Science Type 2 Diabetes Mellitus 5
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 0.0529 mg/mL ALOGPS logP 2.24 ALOGPS logP 1.72 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 11.36 Chemaxon pKa (Strongest Basic) 6.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 83.88 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 126.12 m3·mol-1 Chemaxon Polarizability 45.27 Å3 Chemaxon Number of Rings 5 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 splash10-0a4i-0003900000-eb25f2953fcbf3c4f584 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0000900000-b8ddffc4b851bbeaac1e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0113900000-5bb2313557ddff382907 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0bt9-0019700000-2f3c7e457de621130054 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f79-0029000000-4663487e8035654a55ba Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-2946100000-6345069c28392722e3e1 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]- 193.60689 predictedDeepCCS 1.0 (2019) [M+H]+ 196.00246 predictedDeepCCS 1.0 (2019) [M+Na]+ 202.42003 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:20 / Updated at June 12, 2020 16:53