Belotecan

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

Identification

Name
Belotecan
Accession Number
DB12459
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Belotecan hydrochloride01DZ4127G7213819-48-8SJKBXKKZBKCHET-UQIIZPHYSA-N
Categories
UNII
27Z82M2G1N
CAS number
256411-32-2
Weight
Average: 433.508
Monoisotopic: 433.200156361
Chemical Formula
C25H27N3O4
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[[email protected]@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Belotecan.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Belotecan.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Belotecan.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Belotecan.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Belotecan.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Belotecan.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Belotecan.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Belotecan.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Belotecan.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Belotecan.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Belotecan.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Belotecan.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Belotecan.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Belotecan.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Belotecan.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Belotecan.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Belotecan.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Belotecan.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Belotecan.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Belotecan.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
6456014
PubChem Substance
347828699
ChemSpider
4958253
ChEBI
135702
ChEMBL
CHEMBL2111084

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
2CompletedTreatmentCervical Cancers1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentLung Cancers1
2CompletedTreatmentOvarian Epithelial Cancer1
2RecruitingTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
3Unknown StatusTreatmentCarcinoma, Small Cell1

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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Camptothecin / Pyranopyridine / Quinoline / Pyridinone / Aralkylamine / Pyridine / Benzenoid / Heteroaromatic compound / Tertiary alcohol / Amino acid or derivatives
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:28 / Updated on November 09, 2017 05:08