GB1211
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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
- GB1211
- DrugBank Accession Number
- DB17499
- Background
GB1211 is an orally active galectin-3 (Gal-3) inhibitor.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 533.32
Monoisotopic: 532.002774 - Chemical Formula
- C19H16BrF3N4O4S
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 94EN2E6BLW
- CAS number
- 1978336-95-6
- InChI Key
- FNCLKJPMEFPXOR-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2
- IUPAC Name
- 2-[(5-bromopyridin-3-yl)sulfanyl]-6-(hydroxymethyl)-4-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]oxane-3,5-diol
- SMILES
- OCC1OC(SC2=CN=CC(Br)=C2)C(O)C(C1O)N1C=C(N=N1)C1=CC(F)=C(F)C(F)=C1
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Metastatic Melanoma / Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1 1 Completed Basic Science Pharmacokinetics 1 1 Completed Other Safety, and Tolerability 1 1, 2 Active Not Recruiting Treatment Hepatic Impairment 1 1, 2 Active Not Recruiting Treatment Non-Small Cell Lung Cancer (NSCLC) 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 0.08 mg/mL ALOGPS logP 2.4 ALOGPS logP 2.35 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 12.82 Chemaxon pKa (Strongest Basic) 2.65 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 113.52 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 122.66 m3·mol-1 Chemaxon Polarizability 45.44 Å3 Chemaxon Number of Rings 4 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at February 08, 2023 23:31 / Updated at February 10, 2023 08:55