BPR-0L075
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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
- BPR-0L075
- DrugBank Accession Number
- DB17155
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 341.363
Monoisotopic: 341.126322716 - Chemical Formula
- C19H19NO5
- Synonyms
- 6-methoxy-3-(3,4,5-trimethoxybenzoyl) indole
- Methanone, (6-methoxy-1h-indol-3-yl)(3,4,5-trimethoxyphenyl)-
- External IDs
- BPR-0L075
- SCB01A
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
- W918223VQ6
- CAS number
- 613679-11-1
- InChI Key
- UZJVBXKFBQNDTQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3
- IUPAC Name
- 6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1H-indole
- SMILES
- COC1=CC=C2C(NC=C2C(=O)C2=CC(OC)=C(OC)C(OC)=C2)=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0259681
- ChemSpider
- 8535406
- BindingDB
- 50151101
- ChEMBL
- CHEMBL364123
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Head and Neck Neoplasms 1 2 Terminated Treatment Squamous Cell Carcinoma of the Head and Neck (SCCHN) 1 1 Completed Treatment Solid Tumors 1 Not Available No Longer Available Not Available Malignant Solid Neoplasms 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 0.0535 mg/mL ALOGPS logP 3.12 ALOGPS logP 2.9 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 13.28 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.78 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 93.57 m3·mol-1 Chemaxon Polarizability 36.7 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 21, 2022 21:52 / Updated at December 01, 2022 11:35