Pinometostat

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

Identification

Name
Pinometostat
Accession Number
DB12920
Type
Small Molecule
Groups
Investigational
Description

Pinometostat has been used in trials studying the treatment of Leukemia, Acute Leukemias, Acute Myeloid Leukemia, Myelodysplastic Syndrome, and Acute Lymphocytic Leukemia, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
EPZ-5676
Categories
UNII
8V9YR09EF3
CAS number
1380288-87-8
Weight
Average: 562.7063
Monoisotopic: 562.33798725
Chemical Formula
C30H42N8O3
InChI Key
LXFOLMYKSYSZQS-LURJZOHASA-N
InChI
InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1
IUPAC Name
(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-{[(propan-2-yl)[(1r,3s)-3-[2-(6-tert-butyl-1H-1,3-benzodiazol-2-yl)ethyl]cyclobutyl]amino]methyl}oxolane-3,4-diol
SMILES
[H][[email protected]]1(CCC2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C[[email protected]]([H])(C1)N(C[[email protected]@]1([H])O[[email protected]@]([H])(N2C=NC3=C(N)N=CN=C23)[[email protected]]([H])(O)[[email protected]]1([H])O)C(C)C

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

References

General References
Not Available
External Links
PubChem Compound
57345410
PubChem Substance
347829066
ChemSpider
29315022
ChEMBL
CHEMBL3414626
HET
EP6
PDB Entries
4hra

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Leukemia Acute Myeloid Leukemia (AML) / Myelodysplastic Syndrome / Myeloproliferative Disorders1
1CompletedTreatmentAcute Lymphocytic Leukemia (ALL) / Leukaemia, Acute / Leukemia Acute Myeloid Leukemia (AML) / Leukemias1

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 Solubility0.0181 mg/mLALOGPS
logP3.67ALOGPS
logP3.31ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)12.26ChemAxon
pKa (Strongest Basic)9.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area151.23 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity156.75 m3·mol-1ChemAxon
Polarizability63.25 Å3ChemAxon
Number of Rings6ChemAxon
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 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
5'-deoxyribonucleosides
Sub Class
Not Available
Direct Parent
5'-deoxyribonucleosides
Alternative Parents
Glycosylamines / Pentoses / 6-aminopurines / Benzimidazoles / Aminopyrimidines and derivatives / Aralkylamines / N-substituted imidazoles / Imidolactams / Benzenoids / Tetrahydrofurans
show 9 more
Substituents
5'-deoxyribonucleoside / Glycosyl compound / N-glycosyl compound / 6-aminopurine / Pentose monosaccharide / Benzimidazole / Imidazopyrimidine / Purine / Aralkylamine / Aminopyrimidine
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:17 / Updated on November 09, 2017 05:14