BNC105
Identification
- Generic Name
- BNC105
- DrugBank Accession Number
- DB06313
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 452.352
Monoisotopic: 452.087233874 - Chemical Formula
- C20H21O10P
- Synonyms
- Not Available
- External IDs
- BNC-105P FREE ACID
- BNC105
- BNC105P FREE ACID
Pharmacology
- Indication
Investigated for use/treatment in cancer/tumors (unspecified).
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- Pharmacodynamics
Not Available
- Mechanism of action
BNC105 is a Vascular Targeting Agent (VDA) anticancer drug. VDAs are disrupt the blood vessels which nourish tumours. BNC105 occludes blood vessels which cuts off oxygen and nutrient supply to the tumor cells, and thus can be applied to a wide range of cancerous tumors. It has a dual mode of action where it cuts off blood supply to the tumor and may have a direct toxic effect on cancer cells. Pharmacokinetic studies have been favorable, showing enhanced specificity and a long half life at the tumor site.
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- TO9V2XZF53
- CAS number
- 945772-45-2
- InChI Key
- MYDHDVLPMRNDAZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H21O10P/c1-10-16(17(21)11-8-14(26-3)19(28-5)15(9-11)27-4)12-6-7-13(25-2)20(18(12)29-10)30-31(22,23)24/h6-9H,1-5H3,(H2,22,23,24)
- IUPAC Name
- {[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxy}phosphonic acid
- SMILES
- COC1=CC(=CC(OC)=C1OC)C(=O)C1=C(C)OC2=C1C=CC(OC)=C2OP(O)(O)=O
References
- General References
- Link [Link]
- External Links
- ChemSpider
- 17610989
- ChEMBL
- CHEMBL1852492
- ZINC
- ZINC000043171709
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Metastatic Colorectal Cancer (CRC) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0853 mg/mL ALOGPS logP 2.13 ALOGPS logP 2.2 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 1.54 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 133.89 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 109.33 m3·mol-1 Chemaxon Polarizability 43.41 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0030900000-3edd0fb74132f8a94fe3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000200000-ad943f693f1cb5befacf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0f79-1062900000-94c1faca0a05e49a1a5d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-455d394fad6c23f2fb80 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-311a84cf7c23e2518da6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6r-2963000000-af5adcf30c40925824af Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 227.7359069 predictedDarkChem Lite v0.1.0 [M+H]+ 227.5706069 predictedDarkChem Lite v0.1.0 [M+Na]+ 227.2670069 predictedDarkChem Lite v0.1.0
Drug created at March 19, 2008 16:24 / Updated at June 12, 2020 16:52