Namitecan

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

Identification

Name
Namitecan
Accession Number
DB12124
Type
Small Molecule
Groups
Investigational
Description

Namitecan has been used in trials studying the treatment of Solid Tumors.

Structure
Thumb
Synonyms
Not Available
External IDs
Not Available
Product Ingredients
Not Available
Approved Prescription Products
Not Available
Approved Generic Prescription Products
Not Available
Approved Over the Counter Products
Not Available
Unapproved/Other Products
Not Available
International/Other Brands
Not Available
Brand mixtures
Not Available
Categories
UNII
X34Z8N66T3
CAS number
372105-27-6
Weight
Average: 434.452
Monoisotopic: 434.159019824
Chemical Formula
C23H22N4O5
InChI Key
IBTISPLPBBHVSU-UVOOVGFISA-N
InChI
InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1
IUPAC Name
(19S)-10-[(1E)-[(2-aminoethoxy)imino]methyl]-19-ethyl-19-hydroxy-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=C3\C=N\OCCN)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 Namitecan.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Namitecan.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Namitecan.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Namitecan.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Namitecan.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Namitecan.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Namitecan.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Namitecan.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Namitecan.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Namitecan.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Namitecan.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Namitecan.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
ChemSpider
9125365
ChEMBL
CHEMBL419186
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentTumors, Solid1

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 Solubility0.106 mg/mLALOGPS
logP1.32ALOGPS
logP0.52ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)11.71ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area127.34 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity117.33 m3·mol-1ChemAxon
Polarizability46.11 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 LC-MS/MS Spectrum - 10V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 10V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, NegativePredicted 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 / Benzenoids / Tertiary alcohols / Heteroaromatic compounds / Amino acids and derivatives / Carboxylic acid esters / Lactams / Lactones
show 7 more
Substituents
Camptothecin / Pyranopyridine / Quinoline / Pyridinone / Pyridine / Benzenoid / Heteroaromatic compound / Tertiary alcohol / Amino acid or derivatives / Carboxylic acid ester
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Drug created on October 20, 2016 15:24 / Updated on September 01, 2017 12:17