NAV

BNC105

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
BNC105
DrugBank Accession Number
DB06313
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 452.352
Monoisotopic: 452.087233874
Chemical Formula
C20H21O10P
Synonyms
Not Available
External IDs
  • BNC-105P FREE ACID
  • BNC105
  • BNC105P FREE ACID
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Pharmacology

Indication

Investigated for use/treatment in cancer/tumors (unspecified).

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Contraindications & Blackbox Warnings
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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
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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
  1. Link [Link]
ChemSpider
17610989
ChEMBL
CHEMBL1852492
ZINC
ZINC000043171709

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMetastatic 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
PropertyValueSource
Water Solubility0.0853 mg/mLALOGPS
logP2.13ALOGPS
logP2.2Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)1.54Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area133.89 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity109.33 m3·mol-1Chemaxon
Polarizability43.41 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0030900000-3edd0fb74132f8a94fe3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000200000-ad943f693f1cb5befacf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f79-1062900000-94c1faca0a05e49a1a5d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-455d394fad6c23f2fb80
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-311a84cf7c23e2518da6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-2963000000-af5adcf30c40925824af
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-227.7359069
predicted
DarkChem Lite v0.1.0
[M+H]+227.5706069
predicted
DarkChem Lite v0.1.0
[M+Na]+227.2670069
predicted
DarkChem Lite v0.1.0

Drug created at March 19, 2008 16:24 / Updated at June 12, 2020 16:52