NAV

BMX-001 free base

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

Identification

Generic Name
BMX-001 free base
DrugBank Accession Number
DB17516
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1076.299
Monoisotopic: 1075.534254
Chemical Formula
C64H76MnN8O4
Synonyms
  • Manganese(5+), ((2,2',2'',2'''-(21h,23h-porphine-5,10,15,20-tetrayl-.kappa.n21,.kappa.n22,.kappa.n23,.kappa.n24)tetrakis(1-(2-butoxyethyl)pyridiniumato))(2-))-, (sp-4-1)-
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
BMX-001MIJ02RO47F1379783-91-1FVIXMTYHFFAYDY-UHFFFAOYSA-I

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
J06K64323R
CAS number
1379866-50-8
InChI Key
CZXJDWRMJZZOTQ-UHFFFAOYSA-N
InChI
InChI=1S/C64H76N8O4.Mn/c1-5-9-41-73-45-37-69-33-17-13-21-57(69)61-49-25-27-51(65-49)62(58-22-14-18-34-70(58)38-46-74-42-10-6-2)53-29-31-55(67-53)64(60-24-16-20-36-72(60)40-48-76-44-12-8-4)56-32-30-54(68-56)63(52-28-26-50(61)66-52)59-23-15-19-35-71(59)39-47-75-43-11-7-3;/h13-36H,5-12,37-48H2,1-4H3;/q+2;+3
IUPAC Name
manganese(3+) 2,7,12,17-tetrakis[1-(2-butoxyethyl)pyridin-1-ium-2-yl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene-21,23-diide
SMILES
[Mn+3].CCCCOCC[N+]1=CC=CC=C1\C1=C2/C=CC(=N2)\C(=C2/[N-]\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C1[N-]2)C1=CC=CC=[N+]1CCOCCCC)C1=CC=CC=[N+]1CCOCCCC)\C1=CC=CC=[N+]1CCOCCCC

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentAstrocytoma, Grade III / High Grade Glioma (HGG) / High Grade Glioma: Glioblastoma (GBM)1
2RecruitingTreatmentRectal Cancer1
2WithdrawnTreatmentHead And Neck Cancer1
1, 2CompletedTreatmentHead And Neck Cancer1
1, 2RecruitingTreatmentAnal Squamous Cell Carcinoma / Nuclear radiation emergency1

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
PropertyValueSource
Water Solubility2.12e-05 mg/mLALOGPS
logP2.02ALOGPS
logP-4.6Chemaxon
logS-7.8ALOGPS
pKa (Strongest Acidic)11.49Chemaxon
pKa (Strongest Basic)3.36Chemaxon
Physiological Charge4Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area104 Å2Chemaxon
Rotatable Bond Count24Chemaxon
Refractivity309.4 m3·mol-1Chemaxon
Polarizability119.73 Å3Chemaxon
Number of Rings9Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 13, 2023 19:25 / Updated at September 30, 2023 19:57