BMS-830216
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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
- BMS-830216
- DrugBank Accession Number
- DB14787
- Background
BMS-830216 is under investigation in clinical trial NCT00909766 (Safety, Pharmacokinetics and Pharmacodynamics Study to Evaluate BMS-830216 in Obese Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 548.93
Monoisotopic: 548.0573869 - Chemical Formula
- C24H22ClN2O7PS
- 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 thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Thienopyrimidines
- Sub Class
- Not Available
- Direct Parent
- Thienopyrimidines
- Alternative Parents
- Methoxyanilines / Phenoxy compounds / 2,3,5-trisubstituted thiophenes / Anisoles / Methoxybenzenes / Pyrimidones / Alkyl aryl ethers / Monoalkyl phosphates / Chlorobenzenes / Aryl chlorides show 7 more
- Substituents
- 2,3,5-trisubstituted thiophene / Alkyl aryl ether / Alkyl phosphate / Anisole / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Chlorobenzene show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ISL723GVQ8
- CAS number
- 1197420-06-6
- InChI Key
- YDTUJCNTIMWHPJ-NRFANRHFSA-N
- InChI
- InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1
- IUPAC Name
- [(1R)-2-{4-[6-(4-chlorophenyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy}-1-cyclopropylethoxy]phosphonic acid
- SMILES
- COC1=CC(=CC=C1OC[C@H](OP(O)(O)=O)C1CC1)N1C=NC2=C(SC(=C2)C2=CC=C(Cl)C=C2)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 28648397
- ChEMBL
- CHEMBL2147475
Clinical Trials
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 0.0125 mg/mL ALOGPS logP 3.65 ALOGPS logP 4.48 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 1.21 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 117.89 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 135.89 m3·mol-1 Chemaxon Polarizability 54.8 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)
Not Available
Drug created at May 20, 2019 14:27 / Updated at June 12, 2020 16:53