NAV

Pevonedistat

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

Identification

Generic Name
Pevonedistat
DrugBank Accession Number
DB11759
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 443.519
Monoisotopic: 443.162725003
Chemical Formula
C21H25N5O4S
Synonyms
  • Pevonedistat
External IDs
  • MLN 4924
  • MLN-4924
  • MLN4924
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Pevonedistat Hydrochloride28I8PCX76B1160295-21-5HJKDNNXKYODZJI-BVMPOVDASA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Cyclic alcohol / Cyclopentanol / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S3AZD8D215
CAS number
905579-51-3
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

References

General References
Not Available
PubChem Compound
16720766
PubChem Substance
347828113
ChemSpider
17625129
BindingDB
50285607
ChEBI
95028
ChEMBL
CHEMBL1231160
ZINC
ZINC000058660702
PDBe Ligand
B39
Wikipedia
Pevonedistat
PDB Entries
5l6i

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentAcute Myeloid Leukemia1
3Active Not RecruitingTreatmentAcute Myeloid Leukemia / Chronic Myelomonocytic Leukemia / Coronavirus Disease 2019 (COVID‑19) / Myelodysplastic Syndrome1
2Active Not RecruitingTreatmentAcute Myeloid Leukemia1
2Active Not RecruitingTreatmentMetastatic Cholangiocarcinoma / Metastatic Hepatocellular Carcinoma / Stage III Hepatocellular Carcinoma AJCC v8 / Stage III Intrahepatic Cholangiocarcinoma AJCC v8 / Stage IIIA Hepatocellular Carcinoma AJCC v8 / Stage IIIA Intrahepatic Cholangiocarcinoma AJCC v8 / Stage IIIB Hepatocellular Carcinoma AJCC v8 / Stage IIIB Intrahepatic Cholangiocarcinoma AJCC v8 / Stage IV Hepatocellular Carcinoma AJCC v8 / Stage IV Intrahepatic Cholangiocarcinoma AJCC v8 / Stage IVA Hepatocellular Carcinoma AJCC v8 / Stage IVB Hepatocellular Carcinoma AJCC v8 / Unresectable Cholangiocarcinoma / Unresectable Hepatocellular Carcinoma (HCC) / Unresectable Intrahepatic Cholangiocarcinoma1
2Active Not RecruitingTreatmentMetastatic Lung Non-Small Cell Squamous Carcinoma / Metastatic Non-squamous Non-small-cell Lung Cancer (NSQ NSCLC) / Stage IIIB Lung Cancer AJCC v8 / Stage IV Lung Cancer AJCC v8 / Stage IVA Lung Cancer AJCC v8 / Stage IVB Lung Cancer AJCC v8 / Unresectable Lung Non-Squamous Non-Small Cell Carcinoma / Unresectable Non-Small Cell Lung Carcinoma (NSCLC)1

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)6.04Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area132.36 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity117.23 m3·mol-1Chemaxon
Polarizability46.24 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/MSsplash10-0006-0000900000-674ebf7b22043a8ab58c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6u-0009300000-e6abce8d7729096d9e3c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-002e-8019700000-fd1643246087aafc6922
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f92-0049000000-3fdac30579be11f36975
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0395200000-6572bf59df04142dbd48
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9443200000-05a1bdd17b941500ad51
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-200.59067
predicted
DeepCCS 1.0 (2019)
[M+H]+202.48607
predicted
DeepCCS 1.0 (2019)
[M+Na]+208.26402
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:45 / Updated at July 18, 2023 22:56