NAV

Belotecan

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

Identification

Generic Name
Belotecan
DrugBank Accession Number
DB12459
Background

Belotecan has been investigated for the treatment of Epithelial Ovarian Cancer.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 433.508
Monoisotopic: 433.200156361
Chemical Formula
C25H27N3O4
Synonyms
  • Belotecan
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Belotecan is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Belotecan is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Belotecan is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Belotecan is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Belotecan is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Belotecan hydrochloride01DZ4127G7213819-48-8SJKBXKKZBKCHET-UQIIZPHYSA-N

Categories

ATC Codes
L01CE04 — Belotecan
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Camptothecins
Sub Class
Not Available
Direct Parent
Camptothecins
Alternative Parents
Quinolines and derivatives / Pyranopyridines / Pyridinones / Aralkylamines / Benzenoids / Tertiary alcohols / Heteroaromatic compounds / Amino acids and derivatives / Lactones / Lactams
show 8 more
Substituents
Alcohol / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Camptothecin / Carbonyl group / Carboxylic acid derivative
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
27Z82M2G1N
CAS number
256411-32-2
InChI Key
LNHWXBUNXOXMRL-VWLOTQADSA-N
InChI
InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1
IUPAC Name
(19S)-19-ethyl-19-hydroxy-10-{2-[(propan-2-yl)amino]ethyl}-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O

References

General References
Not Available
PubChem Compound
6456014
PubChem Substance
347828699
ChemSpider
4958253
ChEBI
135702
ChEMBL
CHEMBL2111084
ZINC
ZINC000003826691
Wikipedia
Belotecan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSmall Cell Carcinoma1
2CompletedTreatmentCervical Cancer1
2CompletedTreatmentEpithelial Ovarian Cancer1
2CompletedTreatmentLung Cancer1
2CompletedTreatmentNon-Small Cell Lung Carcinoma1

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 Solubility0.0779 mg/mLALOGPS
logP2.68ALOGPS
logP1.69Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)11.73Chemaxon
pKa (Strongest Basic)10.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area91.76 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity121.66 m3·mol-1Chemaxon
Polarizability47.96 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-001i-0002900000-9990a09c3dbb96fea3d1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0019-0009000000-a7523c612e997262ed82
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009200000-7a4ec6a33a6c1a701ec5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0109000000-2500e9016e74aff8c555
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-003s-1019000000-41c8c6b4c2ef52daf2da
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uei-0516900000-e5643dbd04a32803767c
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]-195.44899
predicted
DeepCCS 1.0 (2019)
[M+H]+197.84456
predicted
DeepCCS 1.0 (2019)
[M+Na]+203.79887
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:28 / Updated at February 21, 2021 18:53