This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Formocortal
- DrugBank Accession Number
- DB13664
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Formocortal (DB13664)
- Weight
- Average: 569.06
Monoisotopic: 568.223924 - Chemical Formula
- C29H38ClFO8
- Synonyms
- Formocortal
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcarbose The risk or severity of hyperglycemia can be increased when Formocortal is combined with Acarbose. Acetohexamide The risk or severity of hyperglycemia can be increased when Formocortal is combined with Acetohexamide. Acetyldigitoxin The risk or severity of adverse effects can be increased when Formocortal is combined with Acetyldigitoxin. Albiglutide The risk or severity of hyperglycemia can be increased when Formocortal is combined with Albiglutide. Allogeneic processed thymus tissue The therapeutic efficacy of Allogeneic processed thymus tissue can be decreased when used in combination with Formocortal. - Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- S01BA12 — Formocortal
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Pregnane steroids
- Direct Parent
- Pregnane steroids
- Alternative Parents
- 20-oxosteroids / 11-beta-hydroxysteroids / Halogenated steroids / Ketals / Alpha-acyloxy ketones / 1,3-dioxolanes / Secondary alcohols / Ketones / Fluorohydrins / Cyclic alcohols and derivatives show 10 more
- Substituents
- 11-beta-hydroxysteroid / 11-hydroxysteroid / 20-oxosteroid / 9-halo-steroid / Acetal / Alcohol / Aldehyde / Aliphatic heteropolycyclic compound / Alkyl chloride / Alkyl fluoride show 26 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8E21R0Z4M5
- CAS number
- 2825-60-7
- InChI Key
- QNXUUBBKHBYRFW-QWAPGEGQSA-N
- InChI
- InChI=1S/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1
- IUPAC Name
- 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-16,18-dien-8-yl]-2-oxoethyl acetate
- SMILES
- CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)OCCCl
References
- General References
- Not Available
- External Links
- ChemSpider
- 254985
- ChEBI
- 135834
- ChEMBL
- CHEMBL1989587
- ZINC
- ZINC000004216336
- Wikipedia
- Formocortal
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Ointment Ophthalmic Solution / drops Ophthalmic - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00875 mg/mL ALOGPS logP 3.34 ALOGPS logP 2.07 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 13.64 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 108.36 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 141.36 m3·mol-1 Chemaxon Polarizability 58.69 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]- 223.1241 predictedDeepCCS 1.0 (2019) [M+H]+ 224.96509 predictedDeepCCS 1.0 (2019) [M+Na]+ 230.73624 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54