Plevitrexed

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

Identification

Name
Plevitrexed
Accession Number
DB06163
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • BGC-9331
External IDs
NSC-696259 / ZD-9331 / ZD9331
Categories
UNII
L9P2881C3H
CAS number
153537-73-6
Weight
Average: 532.536
Monoisotopic: 532.19827948
Chemical Formula
C26H25FN8O4
InChI Key
IEJSCSAMMLUINT-NRFANRHFSA-N
InChI
InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
IUPAC Name
(2S)-2-[(4-{[(2,7-dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorophenyl)formamido]-4-(1H-1,2,3,4-tetrazol-5-yl)butanoic acid
SMILES
CC1=NC(=O)C2=CC(CN(CC#C)C3=CC=C(C(=O)N[C@@H](CCC4=NN=NN4)C(O)=O)C(F)=C3)=C(C)C=C2N1

Pharmacology

Indication

Investigated for use/treatment in pancreatic cancer, solid tumors, gastric cancer, lung cancer, and colorectal cancer.

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risk or severity of cytotoxicity can be increased when Ancestim is combined with Plevitrexed.Approved, Investigational, Withdrawn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

References

General References
Not Available
External Links
ChemSpider
184720
BindingDB
50081252
ChEMBL
CHEMBL126648

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCancer of the Ovary / Fallopian Tube Cancer / Primary Peritoneal Cavity Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00901 mg/mLALOGPS
logP1.99ALOGPS
logP2.35ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.13ChemAxon
pKa (Strongest Basic)-0.58ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area165.56 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity144.3 m3·mol-1ChemAxon
Polarizability53.7 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
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/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 hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids / 2-halobenzoic acids and derivatives / Aminobenzamides / Quinazolines / Aniline and substituted anilines / Benzoyl derivatives / Dialkylarylamines / Aralkylamines / Pyrimidones / Fluorobenzenes
show 16 more
Substituents
Hippuric acid / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Diazanaphthalene / Alpha-amino acid or derivatives / Aminobenzamide / Aminobenzoic acid or derivatives / 2-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / Quinazoline
show 39 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on March 19, 2008 10:15 / Updated on July 02, 2018 18:30