NAV

Oprozomib

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

Identification

Generic Name
Oprozomib
DrugBank Accession Number
DB11991
Background

Oprozomib has been used in trials studying the treatment of Solid Tumors, Multiple Myeloma, Waldenstrom Macroglobulinemia, Advanced Hepatocellular Carcinoma, and Advanced Non-Central Nervous System (CNS) Malignancies.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 532.61
Monoisotopic: 532.19917056
Chemical Formula
C25H32N4O7S
Synonyms
  • Oprozomib
External IDs
  • ONX 0912
  • ONX-0912
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / Thiazolecarboxamides / 2-heteroaryl carboxamides / 2,5-disubstituted thiazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Ketones / Oxacyclic compounds
show 6 more
Substituents
2,5-disubstituted 1,3-thiazole / 2-heteroaryl carboxamide / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amphetamine or derivatives / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid
show 22 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
MZ37792Y8J
CAS number
935888-69-0
InChI Key
SWZXEVABPLUDIO-WSZYKNRRSA-N
InChI
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
IUPAC Name
(2S)-3-methoxy-2-[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)formamido]propanamido]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]propanamide
SMILES
COC[C@H](NC(=O)[C@H](COC)NC(=O)C1=CN=C(C)S1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[C@@]1(C)CO1

References

General References
Not Available
PubChem Compound
25067547
PubChem Substance
347828311
ChemSpider
28528375
BindingDB
50398607
ChEMBL
CHEMBL2103884
ZINC
ZINC000043202141
Wikipedia
Oprozomib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentSolid Tumors1
1TerminatedTreatmentAdvanced Non-Central Nervous System (CNS) Malignancies1
1TerminatedTreatmentMultiple Myeloma (MM)1
1, 2CompletedTreatmentMultiple Myeloma (MM)1
1, 2TerminatedTreatmentMultiple Myeloma (MM)2

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 Solubility0.0121 mg/mLALOGPS
logP1.04ALOGPS
logP0.41Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)11.5Chemaxon
pKa (Strongest Basic)2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area148.25 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity134.34 m3·mol-1Chemaxon
Polarizability53.03 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-0059-0741390000-788a957953ad71e86b53
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kai-3274940000-7ab28a8e10881bc4d0dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-062a-2921210000-4d406e954768c096e628
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-2316910000-d4efc574e4aa000631e3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00vm-2900200000-a87d80fe96f393ba84fd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udm-9444400000-fca45f4039987b200c9a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-221.51366
predicted
DeepCCS 1.0 (2019)
[M+H]+223.54985
predicted
DeepCCS 1.0 (2019)
[M+Na]+229.34004
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:08 / Updated at February 21, 2021 18:53