Buloxibutid
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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
- Buloxibutid
- DrugBank Accession Number
- DB18038
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 475.62
Monoisotopic: 475.159948774 - Chemical Formula
- C23H29N3O4S2
- Synonyms
- Butyl [3-[4-[(1H-imidazol-1-yl)methyl]phenyl]-5-isobutylthiophen-2-yl]sulfonylcarbamate
- butyl [3-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophene-2-sulfonyl]carbamate
- Carbamic acid, [[3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]-, butyl ester
- COMPOUND 21
- T2 AGONIST COMPOUND 21
- External IDs
- C 21
- C-21
- C21
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.
- Product Ingredients
Ingredient UNII CAS InChI Key Buloxibutid sodium Y151F1Q61I Not Available ZUHAJKQDALIGJV-UHFFFAOYSA-M
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- RC2V4W0EYC
- CAS number
- 477775-14-7
- InChI Key
- XTEOJPUYZWEXFI-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
- IUPAC Name
- butyl N-[(3-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophen-2-yl)sulfonyl]carbamate
- SMILES
- CCCCOC(=O)NS(=O)(=O)C1=C(C=C(CC(C)C)S1)C1=CC=C(CN2C=CN=C2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 7980744
- BindingDB
- 50156173
- ChEMBL
- CHEMBL189568
- ZINC
- ZINC000006467610
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 0 Active Not Recruiting Basic Science Sex Differences 1 0 Recruiting Basic Science Postpartum Pre-Eclampsia 1 0 Recruiting Basic Science Pre-Eclampsia 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 logP 4.58 Chemaxon pKa (Strongest Acidic) 4.61 Chemaxon pKa (Strongest Basic) 6.47 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.29 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 125.87 m3·mol-1 Chemaxon Polarizability 50.23 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 08, 2023 17:37 / Updated at September 28, 2023 05:47