NAV

Bizelesin

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

Identification

Generic Name
Bizelesin
DrugBank Accession Number
DB12352
Background

Bizelesin has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 815.71
Monoisotopic: 814.2185717
Chemical Formula
C43H36Cl2N8O5
Synonyms
  • Bizelesin
External IDs
  • U 77779
  • U-77779
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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AmbroxolThe risk or severity of methemoglobinemia can be increased when Bizelesin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Bizelesin is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Bizelesin is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Bizelesin is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Bizelesin is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Pyrroloindoles
Direct Parent
Pyrroloindoles
Alternative Parents
Indolecarboxamides and derivatives / 3-methylindoles / Hydroxyindoles / Pyrrole carboxamides / 2-heteroaryl carboxamides / 1-hydroxy-2-unsubstituted benzenoids / Substituted pyrroles / Tertiary carboxylic acid amides / Heteroaromatic compounds / Ureas
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Substituents
1-hydroxy-2-unsubstituted benzenoid / 2-heteroaryl carboxamide / 3-alkylindole / 3-methylindole / Alkyl chloride / Alkyl halide / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonic acid derivative
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Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
L0O9OBI87E
CAS number
129655-21-6
InChI Key
FONKWHRXTPJODV-DNQXCXABSA-N
InChI
InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1
IUPAC Name
1,3-bis({2-[(1S)-1-(chloromethyl)-5-hydroxy-8-methyl-1H,2H,3H,6H-pyrrolo[3,2-e]indole-3-carbonyl]-1H-indol-5-yl})urea
SMILES
CC1=CNC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C1=CC2=CC(NC(=O)NC3=CC=C4NC(=CC4=C3)C(=O)N3C[C@@H](CCl)C4=C5C(C)=CNC5=C(O)C=C34)=CC=C2N1

References

General References
Not Available
PubChem Compound
60794
PubChem Substance
347828606
ChemSpider
54789
ChEMBL
CHEMBL284642
ZINC
ZINC000085536995
Wikipedia
Duocarmycin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1CompletedTreatmentUnspecified Adult Solid Tumor, Protocol Specific1

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 Solubility0.00398 mg/mLALOGPS
logP5.62ALOGPS
logP6.41Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)8.44Chemaxon
pKa (Strongest Basic)-6.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count8Chemaxon
Polar Surface Area185.37 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity226.82 m3·mol-1Chemaxon
Polarizability86.55 Å3Chemaxon
Number of Rings10Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-00or-0030090050-9f538a1a9d38dc422d7d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9004000000-b39ac3cd7ab5dc3ab760
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000000090-4b7604f332799cd52ce4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9001000020-cff1f6e3f9974e5a23a4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-067i-0943261870-2e3c9630e399f38661fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9101000010-f6ba6e3b81acd8bacc46
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-315.0930232
predicted
DarkChem Lite v0.1.0
[M-H]-277.26535
predicted
DeepCCS 1.0 (2019)
[M+H]+279.16074
predicted
DeepCCS 1.0 (2019)
[M+Na]+285.16943
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:03 / Updated at February 21, 2021 18:53