Fosdagrocorat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Fosdagrocorat
- DrugBank Accession Number
- DB12198
- Background
Fosdagrocorat has been used in trials studying the treatment and basic science of Rheumatoid Arthritis.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 574.537
Monoisotopic: 574.184443561 - Chemical Formula
- C29H30F3N2O5P
- Synonyms
- Fosdagrocorat
- External IDs
- PF-04171327
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Active Moieties
Name Kind UNII CAS InChI Key Fagrocorat prodrug OPM23UN90U 1044535-52-5 QJJBNCHSWFGXML-KEKPKEOLSA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenanthrenes and derivatives
- Sub Class
- Hydrophenanthrenes
- Direct Parent
- Hydrophenanthrenes
- Alternative Parents
- Naphthalenecarboxamides / Tetralins / Monoalkyl phosphates / Methylpyridines / Benzene and substituted derivatives / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Organooxygen compounds / Organonitrogen compounds show 4 more
- Substituents
- 2-naphthalenecarboxamide / 2-naphthalenecarboxylic acid or derivatives / Alkyl fluoride / Alkyl halide / Alkyl phosphate / Aromatic heteropolycyclic compound / Azacycle / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound show 18 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- HPI19004QS
- CAS number
- 1044535-58-1
- InChI Key
- BVXLAHSJXXSWFF-KEKPKEOLSA-N
- InChI
- InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
- IUPAC Name
- {[(2R,4aS,10aR)-4a-benzyl-7-[(2-methylpyridin-3-yl)carbamoyl]-2-(trifluoromethyl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl]oxy}phosphonic acid
- SMILES
- [H][C@]12CCC3=C(C=CC(=C3)C(=O)NC3=C(C)N=CC=C3)[C@]1(CC1=CC=CC=C1)CC[C@](C2)(OP(O)(O)=O)C(F)(F)F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24872952
- PubChem Substance
- 347828483
- ChemSpider
- 32699790
- BindingDB
- 140010
- ChEMBL
- CHEMBL3137316
- Wikipedia
- Fosdagrocorat
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Rheumatoid Arthritis 2 somestatus stop reason just information to hide 1 Completed Basic Science Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 1 Completed Treatment Healthy Volunteers (HV) 3 somestatus stop reason just information to hide
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 0.000737 mg/mL ALOGPS logP 3.95 ALOGPS logP 3.07 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 0.44 Chemaxon pKa (Strongest Basic) 5.02 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 108.75 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 145.06 m3·mol-1 Chemaxon Polarizability 54.69 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 224.33084 predictedDeepCCS 1.0 (2019) [M+H]+ 226.22626 predictedDeepCCS 1.0 (2019) [M+Na]+ 231.89284 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:35 / Updated at February 21, 2021 18:53