Pevonedistat

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

Identification

Name
Pevonedistat
Accession Number
DB11759
Type
Small Molecule
Groups
Investigational
Description

Pevonedistat has been used in trials studying the treatment of Lymphoma, Solid Tumors, Multiple Myeloma, Hodgkin Lymphoma, and Metastatic Melanoma, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
MLN4924
Product Ingredients
IngredientUNIICASInChI Key
Pevonedistat Hydrochloride28I8PCX76B1160295-21-5HJKDNNXKYODZJI-BVMPOVDASA-N
Categories
UNII
S3AZD8D215
CAS number
905579-51-3
Weight
Average: 443.519
Monoisotopic: 443.162725003
Chemical Formula
C21H25N5O4S
InChI Key
MPUQHZXIXSTTDU-QXGSTGNESA-N
InChI
InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
IUPAC Name
[(1S,2S,4R)-4-(4-{[(1S)-2,3-dihydro-1H-inden-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-hydroxycyclopentyl]methyl sulfamate
SMILES
[H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)N1C=CC2=C(N[C@@]3([H])CCC4=CC=CC=C34)N=CN=C12

Pharmacology

Indication
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
16720766
PubChem Substance
347828113
ChemSpider
17625129
ChEBI
95028
ChEMBL
CHEMBL1231160
HET
B39
Wikipedia
Pevonedistat
PDB Entries
3gzn / 5l6i

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Acute Myelogenous Leukaemia (AML) / Myelodysplastic Syndrome1
1CompletedTreatmentAcute Myelogenous Leukaemia (AML)1
1CompletedTreatmentAdvanced Nonhematologic Malignancies1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentLymphoma, Hodgkins / Malignancies, Hematologic / Malignant Lymphomas / Multiple Myeloma (MM)1
1CompletedTreatmentMetastatic Melanoma1
1CompletedTreatmentTumors, Solid1
1Not Yet RecruitingOtherNeoplasms, Advanced Solid1
1RecruitingOtherAdvanced Solid Tumors, Neoplasms, Advanced Solid1
1RecruitingOtherNeoplasms, Advanced Solid1
1RecruitingTreatmentAcute Lymphoblastic Leukaemia Recurrent / Refractory Acute Lymphoblastic Leukemia1
1RecruitingTreatmentAcute Myelogenous Leukaemia (AML) / Advanced Myelodysplastic Syndromes / Leukemia Acute Myeloid Leukemia (AML) / Smith-Magenis Syndrome1
1RecruitingTreatmentB-Cell Prolymphocytic Leukemia / Chronic, recurrent Lymphocytic Leukemia / Recurrent Diffuse Large B-Cell Lymphoma / Recurrent Follicular Lymphoma / Recurrent Lymphoplasmacytic Lymphoma / Recurrent Mantle Cell Lymphoma / Recurrent Marginal Zone Lymphoma / Recurrent Non-Hodgkin Lymphoma / Recurrent Small Lymphocytic Lymphoma / Refractory Chronic Lymphocytic Leukemia / Refractory Diffuse Large B Cell Lymphoma / Refractory Follicular Lymphoma / Refractory Lymphoplasmacytic Lymphoma / Refractory Mantle Cell Lymphoma / Refractory Marginal Zone Lymphoma / Refractory Non-Hodgkin's lymphoma / Refractory Small Lymphocytic Lymphoma / Richter's Syndrome1
1RecruitingTreatmentMyelofibroses1
1RecruitingTreatmentAcute, secondary Myeloid Leukemia / Recurrent Adult Acute Myeloid Leukemia / Recurrent Childhood Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia / Therapy-Related Acute Myeloid Leukemia / Untreated Adult Acute Myeloid Leukemia1
1RecruitingTreatmentRecurrent Central Nervous System Neoplasm / Recurrent Lymphoma / Recurrent Malignant Solid Neoplasm / Refractory Central Nervous System Neoplasm / Refractory Lymphomas / Refractory Malignant Solid Neoplasm1
1, 2RecruitingTreatmentAcute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Acute Myeloid Leukemia With Myelodysplasia-Related Changes / Therapy-Related Acute Myeloid Leukemia1
1, 2RecruitingTreatmentMesothelioma1
1, 2RecruitingTreatmentPreviously Untreated Acute Myeloid Leukemia1
1, 2WithdrawnTreatmentLarge-Cell Lymphoma, Diffuse / Lymphoma, Diffuse Large-Cell / Lymphoma, Diffuse Large-Cell B-cell / Lymphoma, Large B-Cell, Diffuse (DLBCL)1
2Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Leukemia, Myelomonocytic, Chronic / Myelodysplastic Syndromes1
2RecruitingTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2RecruitingTreatmentMyelodysplastic Syndromes / Myeloproliferative Neoplasms1
3RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML) / Leukemia, Myelomonocytic, Chronic / Myelodysplastic Syndrome1

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 Solubility0.136 mg/mLALOGPS
logP2.18ALOGPS
logP1.42ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)11.4ChemAxon
pKa (Strongest Basic)7.15ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area132.36 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity117.23 m3·mol-1ChemAxon
Polarizability46.22 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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 indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Indanes
Sub Class
Not Available
Direct Parent
Indanes
Alternative Parents
Pyrrolo[2,3-d]pyrimidines / Secondary alkylarylamines / Aminopyrimidines and derivatives / Substituted pyrroles / Imidolactams / Cyclopentanols / Organic sulfuric acids and derivatives / Heteroaromatic compounds / Cyclic alcohols and derivatives / Azacyclic compounds
show 3 more
Substituents
Pyrrolo[2,3-d]pyrimidine / Indane / Pyrrolopyrimidine / Aminopyrimidine / Secondary aliphatic/aromatic amine / Cyclopentanol / Pyrimidine / Imidolactam / Substituted pyrrole / Cyclic alcohol
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:45 / Updated on August 02, 2018 06:29