PF-5190457
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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-5190457
- DrugBank Accession Number
- DB14870
- Background
PF-5190457 is under investigation in clinical trial NCT01522807 (A Study Of Three PF-05190457 Formulations In Healthy Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 512.68
Monoisotopic: 512.235830848 - Chemical Formula
- C29H32N6OS
- Synonyms
- Not Available
- External IDs
- PF-05190457
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Indanes
- Sub Class
- Not Available
- Direct Parent
- Indanes
- Alternative Parents
- N-acylpiperidines / Aralkylamines / Pyrimidines and pyrimidine derivatives / N-substituted imidazoles / Thiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Trialkylamines / Azetidines / Amino acids and derivatives show 4 more
- Substituents
- Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Azole / Carbonyl group / Carboxamide group / Carboxylic acid derivative show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- FF33NL9U5G
- CAS number
- 1334782-79-4
- InChI Key
- ZIUDADZJCKGWKR-AREMUKBSSA-N
- InChI
- InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1
- IUPAC Name
- 2-{2-methylimidazo[2,1-b][1,3]thiazol-6-yl}-1-{2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl}ethan-1-one
- SMILES
- CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]4CCC5=C4C=CC(=C5)C4=CC(C)=NC=N4)CC3)N=C2S1
References
- General References
- Not Available
- External Links
- ChemSpider
- 34216842
- BindingDB
- 50019926
- ChEMBL
- CHEMBL3287218
- ZINC
- ZINC000072317087
- PDBe Ligand
- 1KQ
- PDB Entries
- 7f83
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Basic Science Alcohol Dependency 1 1 Completed Basic Science Type 2 Diabetes Mellitus 1 1 Completed Treatment Alcohol Dependency / Alcohol Drinking Related Problems / Alcohol Related Disorders / Drinking, Alcohol 1 1 Completed Treatment Type 2 Diabetes Mellitus 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 0.011 mg/mL ALOGPS logP 3.69 ALOGPS logP 3.72 Chemaxon logS -4.7 ALOGPS pKa (Strongest Basic) 8.67 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.63 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 157.51 m3·mol-1 Chemaxon Polarizability 58.84 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:31 / Updated at June 12, 2020 16:53