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

Identification
NameBelotecan
Accession NumberDB12459
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs Not Available
Product Ingredients
IngredientUNIICASInChI KeyDetails
Belotecan hydrochloride01DZ4127G7 213819-48-8SJKBXKKZBKCHET-UQIIZPHYSA-NDetails
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNII27Z82M2G1N
CAS number256411-32-2
WeightAverage: 433.508
Monoisotopic: 433.200156361
Chemical FormulaC25H27N3O4
InChI KeyLNHWXBUNXOXMRL-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Belotecan.Approved
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
DeslanosideDeslanoside may decrease the cardiotoxic activities of Belotecan.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Belotecan.Approved
DigoxinDigoxin 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
OleandrinAnvirzel may decrease the cardiotoxic activities of Belotecan.Experimental
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
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Belotecan.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
2CompletedTreatmentCervical Cancers1
2CompletedTreatmentLung Cancers1
2CompletedTreatmentNon-Small-Cell Lung Carcinoma (NSCLC)1
2CompletedTreatmentOvarian Epithelial Cancer1
2RecruitingTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
3Unknown StatusTreatmentCarcinoma, Small Cell1
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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).
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassCamptothecins
Sub ClassNot Available
Direct ParentCamptothecins
Alternative ParentsQuinolines and derivatives / Pyranopyridines / Pyridinones / Aralkylamines / Benzenoids / Tertiary alcohols / Heteroaromatic compounds / Amino acids and derivatives / Lactones / Lactams
SubstituentsCamptothecin / Pyranopyridine / Quinoline / Pyridinone / Aralkylamine / Pyridine / Benzenoid / Heteroaromatic compound / Tertiary alcohol / Amino acid or derivatives
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 16:28 / Updated on September 01, 2017 12:21